Geometry & MOs

Info

ID:	316568
PubChem CID:	126631252
Reduced:	N2H34C47 (1)
Stoich.:	A2B34C47 (1)
Weight, g/mol:	626.272199
ΔH_f, kcal/mol:	197.04
Dipole, Da:	3.61
IP(EA), eV:	-8.0(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-phenyl-4-[4-[5-(4-phenylphenyl)benzo[b]carbazol-1-yl]phenyl]aniline

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=CC5=C(C=C4)C6=C(N5C7=CC=C(C=C7)C8=CC=CC=C8)C=CC9=CC=CC=C96

DOS

IR

Vibrations