Geometry & MOs

Info

ID:	394884
PubChem CID:	135024025
Reduced:	OSN2H24C27 (1)
Stoich.:	ABC2D24E27 (1)
Weight, g/mol:	466.171499
ΔH_f, kcal/mol:	57.04
Dipole, Da:	2.94
IP(EA), eV:	-8.44(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-acetylphenyl)-N-quinolin-8-yl-1-thiophen-2-ylbicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2(CC1C(C2C(=O)NC3=CC=CC4=C3N=CC=C4)C5=CC=CC=C5)C6=CC=CS6

DOS

IR

Vibrations