Geometry & MOs

Info

ID:	248266
PubChem CID:	103080117
Reduced:	SO2N4C9H16 (1)
Stoich.:	AB2C4D9E16 (1)
Weight, g/mol:	246.078662
ΔH_f, kcal/mol:	11.77
Dipole, Da:	7.59
IP(EA), eV:	-8.76(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(2-methylsulfinylpropyl)-4-nitropyrazol-3-amine

Drug info:

PubChemData

Smile

CC(C)(CNC1=NN(C=C1[N+](=O)[O-])C)SC

DOS

IR

Vibrations