Geometry & MOs

Info

ID:	124178
PubChem CID:	50873977
Reduced:	ClN2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	271.016684
ΔH_f, kcal/mol:	-79.84
Dipole, Da:	5.39
IP(EA), eV:	-9.34(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carbonyl chloride

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)N2CC(CC2=O)C(=O)N

DOS

IR

Vibrations