Geometry & MOs

Info

ID:	248176
PubChem CID:	103079447
Reduced:	O3N5C9H11 (1)
Stoich.:	A3B5C9D11 (1)
Weight, g/mol:	280.026626
ΔH_f, kcal/mol:	36.51
Dipole, Da:	10.06
IP(EA), eV:	-9.27(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methyl-4-nitropyrazol-3-yl)sulfanylpyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)N2CCOC(C2)C#N)[N+](=O)[O-]

DOS

IR

Vibrations