Geometry & MOs

Info

ID:	176419
PubChem CID:	76045818
Reduced:	ClNO2C19H20 (1)
Stoich.:	ABC2D19E20 (1)
Weight, g/mol:	398.03967
ΔH_f, kcal/mol:	-33.7
Dipole, Da:	5.05
IP(EA), eV:	-9.01(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C(=O)C(C2CC2)C(C3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations