Geometry & MOs

Info

ID:	316549
PubChem CID:	126631217
Reduced:	S3N4H34C63 (1)
Stoich.:	A3B4C34D63 (1)
Weight, g/mol:	474.209599
ΔH_f, kcal/mol:	315.92
Dipole, Da:	3.03
IP(EA), eV:	-8.07(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(7-methylbenzo[g]carbazol-8-yl)-N,N-diphenylaniline

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=C5C=C(C(=CC5=NC=C4)N6C7=CC=CC=C7C8=C6C=C9C1=CC=CC=C1SC9=C8)N1C2=CC=CC=C2C2=C1C=C1C4=CC=CC=C4SC1=C2)C=C1C2=CC=CC=C2SC1=C3

DOS

IR

Vibrations