Geometry & MOs

Info

ID:	399437
PubChem CID:	135040280
Reduced:	NO4C12H17 (1)
Stoich.:	AB4C12D17 (1)
Weight, g/mol:	273.172879
ΔH_f, kcal/mol:	-156.08
Dipole, Da:	1.29
IP(EA), eV:	-10.42(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-benzyl-4-methyl-2-(2-oxopentyl)pyrrolidin-3-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@H]2C[C@H]3[C@H](O3)C[C@H]2C1=O

DOS

IR

Vibrations