Geometry & MOs

Info

ID:	394803
PubChem CID:	135023837
Reduced:	ON3H21C24 (1)
Stoich.:	AB3C21D24 (1)
Weight, g/mol:	348.129634
ΔH_f, kcal/mol:	57.89
Dipole, Da:	5.32
IP(EA), eV:	-8.66(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-quinolin-8-yl-3-thiophen-2-ylbicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2CC1C(C2C(=O)NC3=CC=CC4=C3N=CC=C4)C5=CC=C(C=C5)C#N

DOS

IR

Vibrations