Geometry & MOs

Info

ID:	403381
PubChem CID:	135059948
Reduced:	N3C31H31 (1)
Stoich.:	A3B31C31 (1)
Weight, g/mol:	487.189592
ΔH_f, kcal/mol:	94.36
Dipole, Da:	2.3
IP(EA), eV:	-8.0(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 9-methyl-1-(8-phenylmethoxyquinolin-2-yl)pyrido[3,4-b]indole-3-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)CC1=CC=C(C=C1)C2=NC3=C4C(=C2C5=CC=CC=C5)C6=CC=CC=C6N4CCC3

DOS

IR

Vibrations