Geometry & MOs

Info

ID:	179138
PubChem CID:	76440746
Reduced:	ClN2O4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	300.183778
ΔH_f, kcal/mol:	-111.31
Dipole, Da:	1.79
IP(EA), eV:	-9.08(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-N-(4-methylphenyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1CC2=NC(=O)C(C=C2C(=O)C1)C(=O)NC3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations