Geometry & MOs

Info

ID:	248267
PubChem CID:	103080123
Reduced:	SO3N4C8H14 (1)
Stoich.:	AB3C4D8E14 (1)
Weight, g/mol:	246.078662
ΔH_f, kcal/mol:	-2.63
Dipole, Da:	8.67
IP(EA), eV:	-8.25(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations