Geometry & MOs

Info

ID:	403431
PubChem CID:	135060249
Reduced:	ClON3H18C21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	426.07316
ΔH_f, kcal/mol:	45.65
Dipole, Da:	4.7
IP(EA), eV:	-8.98(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-5-methyl-4-(4-methylphenyl)pyrido[3,2-b]indole

Drug info:

PubChemData

Smile

CCCCN1C2=CC=CC=C2C3=C1N=C(C(=C3Cl)C=O)C4=CN=CC=C4

DOS

IR

Vibrations