Geometry & MOs

Info

ID:	52354
PubChem CID:	12015194
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	197.032422
ΔH_f, kcal/mol:	-131.1
Dipole, Da:	4.39
IP(EA), eV:	-9.01(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-3-nitrobenzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C(C)(C)C)OC)C(=O)O

DOS

IR

Vibrations