Geometry & MOs

Info

ID:	274294
PubChem CID:	103808351
Reduced:	ClO2N3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	241.179027
ΔH_f, kcal/mol:	-88.31
Dipole, Da:	1.43
IP(EA), eV:	-8.56(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3,3-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)NC(=O)[C@H]2CCCCN2)Cl

DOS

IR

Vibrations