Geometry & MOs

Info

ID:	371771
PubChem CID:	131271598
Reduced:	ON2C12H16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	259.94327
ΔH_f, kcal/mol:	-23.7
Dipole, Da:	1.48
IP(EA), eV:	-8.2(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-bromo-5-nitrobenzoic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H](C1=CC2=C(N1)C=CC=C2O)N

DOS

IR

Vibrations