Geometry & MOs

Info

ID:	28295
PubChem CID:	826865
Reduced:	NO2H4C5 (2)
Stoich.:	AB2C4D5 (2)
Weight, g/mol:	235.076392
ΔH_f, kcal/mol:	-126.04
Dipole, Da:	3.28
IP(EA), eV:	-10.39(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloromethylidene)-1-(2,6-dimethylphenyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)[C@]3([C@@]2(NC(=O)N3)O)O

DOS

IR

Vibrations