Geometry & MOs

Info

ID:	8774
PubChem CID:	81374
Reduced:	NO5H7C8 (1)
Stoich.:	AB5C7D8 (1)
Weight, g/mol:	197.032422
ΔH_f, kcal/mol:	-108.64
Dipole, Da:	9.34
IP(EA), eV:	-10.24(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-4-methyl-2-nitrobenzoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C(=O)O)[N+](=O)[O-])O

DOS

IR

Vibrations