Geometry & MOs

Info

ID:	312445
PubChem CID:	126605135
Reduced:	N3H37C54 (1)
Stoich.:	A3B37C54 (1)
Weight, g/mol:	574.240899
ΔH_f, kcal/mol:	252.94
Dipole, Da:	3.69
IP(EA), eV:	-7.82(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-phenyl-8-[4-(10-phenylanthracen-9-yl)phenyl]-1,2-dihydropyrido[4,3-b]indole

Drug info:

PubChemData

Smile

C1C=CC=C(N1)C2=NC=C3C(=C2)C4=C(N3C5=CC=CC=C5)C=CC(=C4)C6=CC=C(C=C6)C7=C8C=CC=CC8=C(C9=CC=CC=C97)C1=CC=C(C=C1)C1=CC=CC=C1

DOS

IR

Vibrations