Geometry & MOs

Info

ID:	251107
PubChem CID:	103101529
Reduced:	NO2C4H7 (2)
Stoich.:	AB2C4D7 (2)
Weight, g/mol:	228.111007
ΔH_f, kcal/mol:	-192.85
Dipole, Da:	9.59
IP(EA), eV:	-10.27(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-amino-2-oxoethyl)-ethylamino]-2,3-dimethyl-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)CCC(=O)O

DOS

IR

Vibrations