Geometry & MOs

Info

ID:	248308
PubChem CID:	103080458
Reduced:	N3O5H11C12 (1)
Stoich.:	A3B5C11D12 (1)
Weight, g/mol:	293.064785
ΔH_f, kcal/mol:	-56.84
Dipole, Da:	10.14
IP(EA), eV:	-10.12(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)O)OC2=NN(C=C2[N+](=O)[O-])C

DOS

IR

Vibrations