Geometry & MOs

Info

ID:

193782

PubChem CID:

78434634

Reduced:

NO4H10C11 (1)

Stoich.:

AB4C10D11 (1)

Weight, g/mol:

298.107933

ΔHf, kcal/mol:

-126.83

Dipole, Da:

3.04

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.760879

Charge, e:

 -1

Chem-info

IUPAC name:

2-[(3-methoxybenzoyl)amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C(=O)N1C(CO)C(=O)[O-]

DOS

IR

Vibrations