Geometry & MOs

Info

ID:	248265
PubChem CID:	103080116
Reduced:	ON2C5H8 (2)
Stoich.:	AB2C5D8 (2)
Weight, g/mol:	244.099397
ΔH_f, kcal/mol:	25.57
Dipole, Da:	6.28
IP(EA), eV:	-8.83(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NCCC2CCC2)[N+](=O)[O-]

DOS

IR

Vibrations