Geometry & MOs

Info

ID:	396448
PubChem CID:	135028428
Reduced:	NO4C26H33 (1)
Stoich.:	AB4C26D33 (1)
Weight, g/mol:	231.125929
ΔH_f, kcal/mol:	-114.71
Dipole, Da:	2.57
IP(EA), eV:	-9.46(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-3-methyl-1-(4-methylphenyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2C[C@@H]3[C@H](C1)C[C@H](C[C@@H]3N(C2)C(=O)OCC4=CC=CC=C4)C)C=C

DOS

IR

Vibrations