Geometry & MOs

Info

ID:	213144
PubChem CID:	81063003
Reduced:	N4O5C12H18 (1)
Stoich.:	A4B5C12D18 (1)
Weight, g/mol:	242.126657
ΔH_f, kcal/mol:	-130.26
Dipole, Da:	7.88
IP(EA), eV:	-10.49(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(=O)NCC(C)CC(=O)O)C)[N+](=O)[O-]

DOS

IR

Vibrations