Geometry & MOs

Info

ID:	258690
PubChem CID:	103156420
Reduced:	O2N3C12H25 (1)
Stoich.:	A2B3C12D25 (1)
Weight, g/mol:	248.100836
ΔH_f, kcal/mol:	-111.43
Dipole, Da:	4.58
IP(EA), eV:	-8.78(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-amino-3-methoxybutanoyl)amino]butanedioic acid

Drug info:

PubChemData

Smile

CC1CC(CCN1C)NC(=O)CC(CN)OC

DOS

IR

Vibrations