Geometry & MOs

Info

ID:	52911
PubChem CID:	14709192
Reduced:	BFO2H13C14 (2)
Stoich.:	ABC2D13E14 (2)
Weight, g/mol:	572.301768
ΔH_f, kcal/mol:	-306.32
Dipole, Da:	1.42
IP(EA), eV:	-9.48(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethylpyridin-4-amine;9,9,18,18-tetramethyl-6,15-diphenyl-5,7,14,16-tetraoxa-6,15-diborapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,10-triene

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

B1(O[C@H]2[C@@H](O1)C(C3=CC4=C(C=C23)C([C@H]5[C@@H]4OB(O5)C6=CC=CC=C6F)(C)C)(C)C)C7=CC=CC=C7F

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

B1(O[C@H]2[C@@H](O1)C(C3=CC4=C(C=C23)C([C@H]5[C@@H]4OB(O5)C6=CC=CC=C6F)(C)C)(C)C)C7=CC=CC=C7F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):