Geometry & MOs

Info

ID:	196782
PubChem CID:	78878071
Reduced:	ClN2O4C18H25 (1)
Stoich.:	AB2C4D18E25 (1)
Weight, g/mol:	302.126657
ΔH_f, kcal/mol:	-187.24
Dipole, Da:	2.32
IP(EA), eV:	-9.52(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-oxo-1H-quinoline-4-carbonyl)-propan-2-ylamino]acetate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N(CC(=O)OC)C(C)C)NC(=O)C1=CC=CC=C1Cl

DOS

IR

Vibrations