Geometry & MOs

Info

ID:	314426
PubChem CID:	126621791
Reduced:	ISH9C16 (1)
Stoich.:	ABC9D16 (1)
Weight, g/mol:	399.06226
ΔH_f, kcal/mol:	84.86
Dipole, Da:	1.25
IP(EA), eV:	-8.6(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-8-methyl-7-(2-methylphenyl)-5H-benzo[b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(S2)C=CC4=C3C=CC(=C4)I

DOS

IR

Vibrations