Geometry & MOs

Info

ID:	37963
PubChem CID:	8025928
Reduced:	Cl2N2O3H14C18 (1)
Stoich.:	A2B2C3D14E18 (1)
Weight, g/mol:	312.066555
ΔH_f, kcal/mol:	-81.02
Dipole, Da:	2.56
IP(EA), eV:	-9.99(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C(=O)N1)CC(=O)C2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=C3

DOS

IR

Vibrations