Geometry & MOs

Info

ID:	431542
PubChem CID:	135171630
Reduced:	NOC17H33 (1)
Stoich.:	ABC17D33 (1)
Weight, g/mol:	185.105193
ΔH_f, kcal/mol:	-104.19
Dipole, Da:	4.29
IP(EA), eV:	-9.5(1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-oxobutyl)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(CC(C)(C)C(C)(C)/C=C/CC(C)(C)C)C(=O)N

DOS

IR

Vibrations