Geometry & MOs

Info

ID:	52912
PubChem CID:	14709194
Reduced:	B2N2O4C35H38 (1)
Stoich.:	A2B2C4D35E38 (1)
Weight, g/mol:	544.270468
ΔH_f, kcal/mol:	-134.76
Dipole, Da:	6.52
IP(EA), eV:	-8.32(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyridin-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(OC2C(O1)C(C3=CC4=C(C=C23)C(C5C4OB(O5)C6=CC=CC=C6)(C)C)(C)C)C7=CC=CC=C7.CN(C)C1=CC=NC=C1

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(OC2C(O1)C(C3=CC4=C(C=C23)C(C5C4OB(O5)C6=CC=CC=C6)(C)C)(C)C)C7=CC=CC=C7.CN(C)C1=CC=NC=C1

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):