Geometry & MOs

Info

ID:

404770

PubChem CID:

135070663

Reduced:

FN2O2H4C6 (1)

Stoich.:

AB2C2D4E6 (1)

Weight, g/mol:

221.068808

ΔHf, kcal/mol:

-2.85

Dipole, Da:

11.75

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.870723

Charge, e:

 -2

Chem-info

IUPAC name:

2-amino-3-benzylbutanedioate

Drug info:

PubChemData

Smile

C1=C(NC(=N1)F)/C=C/C(=O)[O-]

DOS

IR

Vibrations