Geometry & MOs

Info

ID:	289419
PubChem CID:	104352164
Reduced:	O4N5C12H17 (1)
Stoich.:	A4B5C12D17 (1)
Weight, g/mol:	257.137556
ΔH_f, kcal/mol:	-133.68
Dipole, Da:	7.36
IP(EA), eV:	-9.04(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(3-acetamidopyrrolidine-1-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(=O)NC1CCN(C1)C(=O)NC2=CN(N=C2)CC(=O)O

DOS

IR

Vibrations