Geometry & MOs

Info

ID:	394991
PubChem CID:	135024362
Reduced:	NSO6H29C30 (1)
Stoich.:	ABC6D29E30 (1)
Weight, g/mol:	384.183778
ΔH_f, kcal/mol:	-191.27
Dipole, Da:	7.45
IP(EA), eV:	-8.52(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C(C1C2=CC=CC=C2CC3=C1C4=CC=CC=C4N3S(=O)(=O)C5=CC=C(C=C5)C)C(=O)OCC

DOS

IR

Vibrations