Geometry & MOs

Info

ID:	30112
PubChem CID:	839996
Reduced:	ClN2O4H9C15 (1)
Stoich.:	AB2C4D9E15 (1)
Weight, g/mol:	257.001034
ΔH_f, kcal/mol:	-32.05
Dipole, Da:	2.03
IP(EA), eV:	-9.68(-2.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dichlorobenzoyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations