Geometry & MOs

Info

ID:	248307
PubChem CID:	103080457
Reduced:	N3O5H9C11 (1)
Stoich.:	A3B5C9D11 (1)
Weight, g/mol:	277.06987
ΔH_f, kcal/mol:	-47.93
Dipole, Da:	10.78
IP(EA), eV:	-10.19(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-(1-methyl-4-nitropyrazol-3-yl)oxybenzoic acid

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)OC2=CC=CC=C2C(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations