Geometry & MOs

Info

ID:

408133

PubChem CID:

135080893

Reduced:

O4C5H5 (1)

Stoich.:

A4B5C5 (1)

Weight, g/mol:

173.068808

ΔHf, kcal/mol:

-122.0

Dipole, Da:

3.37

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.778742

Charge, e:

 -2

Chem-info

IUPAC name:

2-amino-3-propylbutanedioate

Drug info:

PubChemData

Smile

CC(=O)/C=C(/C(=O)O)\[O-]

DOS

IR

Vibrations