Geometry & MOs

Info

ID:	248240
PubChem CID:	103079933
Reduced:	SO2N4C7H12 (1)
Stoich.:	AB2C4D7E12 (1)
Weight, g/mol:	244.099397
ΔH_f, kcal/mol:	30.03
Dipole, Da:	6.27
IP(EA), eV:	-8.76(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations