Geometry & MOs

Info

ID:	316511
PubChem CID:	126631055
Reduced:	O3N4H34C63 (1)
Stoich.:	A3B4C34D63 (1)
Weight, g/mol:	474.209599
ΔH_f, kcal/mol:	225.32
Dipole, Da:	2.85
IP(EA), eV:	-8.32(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-phenyl-4-(5-phenylbenzo[h]carbazol-4-yl)aniline

Drug info:

Smile

C1=CC=C2C(=C1)C3=CC4=C(C=C3N2C5=C6C=C(C(=CC6=NC=C5)N7C8=CC=CC=C8C9=CC1=C(C=C97)OC2=CC=CC=C21)N1C2=CC=CC=C2C2=CC3=C(C=C21)OC1=CC=CC=C13)OC1=CC=CC=C14

DOS

IR

Vibrations