Geometry & MOs

Info

ID:	166295
PubChem CID:	74665799
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	356.110312
ΔH_f, kcal/mol:	-78.35
Dipole, Da:	3.96
IP(EA), eV:	-9.95(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C(=O)C3CCC(C3=NC2=O)NNC(=O)C4=CC=CC=C4

DOS

IR

Vibrations