Geometry & MOs

Info

ID:

144908

PubChem CID:

53430428

Reduced:

BrNO3H9C10 (1)

Stoich.:

ABC3D9E10 (1)

Weight, g/mol:

187.044485

ΔHf, kcal/mol:

-95.64

Dipole, Da:

4.44

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.764528

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-2,3-difluoro-5-methylbenzoic acid

Drug info:

PubChemData

Smile

CC(C(=O)[O-])NC(=O)C1=CC=CC=C1Br

DOS

IR

Vibrations