Geometry & MOs

Info

ID:	248309
PubChem CID:	103080460
Reduced:	N3O6H11C12 (1)
Stoich.:	A3B6C11D12 (1)
Weight, g/mol:	237.049804
ΔH_f, kcal/mol:	-91.25
Dipole, Da:	12.89
IP(EA), eV:	-9.76(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methyl-4-nitropyrazol-3-yl)pyrazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)OC2=C(C=CC(=C2)OC)C(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations