Geometry & MOs

Info

ID:	314427
PubChem CID:	126621792
Reduced:	BrNH18C24 (1)
Stoich.:	ABC18D24 (1)
Weight, g/mol:	562.240899
ΔH_f, kcal/mol:	76.9
Dipole, Da:	2.81
IP(EA), eV:	-8.25(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-7-(2-methylphenyl)-2-(9-phenylcarbazol-3-yl)-5H-benzo[b]carbazole

Drug info:

PubChemData

Smile

CC1=C(C2=CC3=C(C=C2C=C1)C4=C(N3)C=CC(=C4)Br)C5=CC=CC=C5C

DOS

IR

Vibrations