Geometry & MOs

Info

ID:	316637
PubChem CID:	126631352
Reduced:	N2H32C45 (1)
Stoich.:	A2B32C45 (1)
Weight, g/mol:	626.272199
ΔH_f, kcal/mol:	188.59
Dipole, Da:	2.78
IP(EA), eV:	-7.9(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-phenyl-4-[4-[5-(3-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]aniline

Drug info:

PubChemData

Smile

CN1C2=C(C=CC=C2C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=CC(=C5)C6=CC=CC=C6)C7=C1C8=CC=CC=C8C9=CC=CC=C97

DOS

IR

Vibrations