Geometry & MOs

Info

ID:	136389
PubChem CID:	52031602
Reduced:	Cl2N2O3H16C18 (1)
Stoich.:	A2B2C3D16E18 (1)
Weight, g/mol:	394.180504
ΔH_f, kcal/mol:	-100.58
Dipole, Da:	4.88
IP(EA), eV:	-8.99(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-fluoro-2-methylphenyl)-3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CCN2C(=O)COC3=C2C=CC(=C3)Cl)Cl

DOS

IR

Vibrations