Geometry & MOs

Info

ID:	248058
PubChem CID:	103078588
Reduced:	ON4C10H18 (1)
Stoich.:	AB4C10D18 (1)
Weight, g/mol:	232.099397
ΔH_f, kcal/mol:	-1.69
Dipole, Da:	3.71
IP(EA), eV:	-8.02(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-N-(1-methylsulfonylpropan-2-yl)pyrazole-3,4-diamine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)N2CCC(C2)COC)N

DOS

IR

Vibrations