Geometry & MOs

Info

ID:

1685

PubChem CID:

4876

Reduced:

NO2H6C7 (1)

Stoich.:

AB2C6D7 (1)

Weight, g/mol:

136.039853

ΔHf, kcal/mol:

-1.04

Dipole, Da:

17.27

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.839221

Charge, e:

 -1

Chem-info

IUPAC name:

4-aminobenzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)[O-])N

DOS

IR

Vibrations