Geometry & MOs

Info

ID:	248094
PubChem CID:	103078880
Reduced:	SN4C9H18 (1)
Stoich.:	AB4C9D18 (1)
Weight, g/mol:	230.120132
ΔH_f, kcal/mol:	26.34
Dipole, Da:	3.03
IP(EA), eV:	-7.7(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-N-(3-methylsulfinylbutyl)pyrazole-3,4-diamine

Drug info:

PubChemData

Smile

CC(C)(CNC1=NN(C=C1N)C)SC

DOS

IR

Vibrations