Geometry & MOs

Info

ID:	168764
PubChem CID:	75014986
Reduced:	ON4C11H16 (1)
Stoich.:	AB4C11D16 (1)
Weight, g/mol:	538.271069
ΔH_f, kcal/mol:	9.08
Dipole, Da:	3.78
IP(EA), eV:	-9.03(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-3-(3,5-dimethylphenyl)-2-oxo-4-(2-piperidin-2-ylethoxy)-N-pyridin-4-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-6-carboxamide

Drug info:

PubChemData

Smile

CC1C2C(=NN1C)C(=O)N3CCCC3C=N2

DOS

IR

Vibrations