Geometry & MOs

Info

ID:	234174
PubChem CID:	92297866
Reduced:	NBr2H21C24 (1)
Stoich.:	AB2C21D24 (1)
Weight, g/mol:	437.05459
ΔH_f, kcal/mol:	85.06
Dipole, Da:	4.01
IP(EA), eV:	-8.28(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,7S,13S,17S)-10-bromo-2-(4-chlorophenyl)-1-azapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8,10,12(19),14-pentaene

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

C1C=C[C@H]2[C@H]1CN3[C@@H]([C@@H]4CC=C[C@@H]4C5=CC(=CC2=C53)Br)C6=CC=C(C=C6)Br

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

C1C=C[C@H]2[C@H]1CN3[C@@H]([C@@H]4CC=C[C@@H]4C5=CC(=CC2=C53)Br)C6=CC=C(C=C6)Br

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):