Geometry & MOs

Info

ID:	248306
PubChem CID:	103080441
Reduced:	O3N4C9H16 (1)
Stoich.:	A3B4C9D16 (1)
Weight, g/mol:	263.05422
ΔH_f, kcal/mol:	-21.51
Dipole, Da:	6.84
IP(EA), eV:	-8.85(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CCCO)C1=NN(C=C1[N+](=O)[O-])C

DOS

IR

Vibrations