Geometry & MOs

Info

ID:	316513
PubChem CID:	126631059
Reduced:	OSN6H36C60 (1)
Stoich.:	ABC6D36E60 (1)
Weight, g/mol:	398.178299
ΔH_f, kcal/mol:	276.59
Dipole, Da:	2.39
IP(EA), eV:	-8.37(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-N,N-diphenylbenzo[g]carbazol-8-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=CC=CC=C5N4C6=NC(=NC(=N6)N7C8=CC=CC=C8C9=CC1=C(C=C97)SC2=CC=CC=C21)N1C2=CC=CC=C2C2=CC3=C(C=C21)OC1=CC=CC=C13)C

DOS

IR

Vibrations