Geometry & MOs

Info

ID:	394880
PubChem CID:	135024021
Reduced:	ON2H28C30 (1)
Stoich.:	AB2C28D30 (1)
Weight, g/mol:	457.215413
ΔH_f, kcal/mol:	42.09
Dipole, Da:	2.89
IP(EA), eV:	-8.51(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-cyanophenyl)-1-(4-methylphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2C3CCC(C3)(C2C(=O)NC4=CC=CC5=C4N=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations