Geometry & MOs

Info

ID:	248270
PubChem CID:	103080145
Reduced:	SO2N4C9H14 (1)
Stoich.:	AB2C4D9E14 (1)
Weight, g/mol:	224.127326
ΔH_f, kcal/mol:	20.28
Dipole, Da:	6.72
IP(EA), eV:	-8.74(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclobutylethyl)-1-methyl-4-nitropyrazol-3-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NC2CCSCC2)[N+](=O)[O-]

DOS

IR

Vibrations