Geometry & MOs

Info

ID:	248008
PubChem CID:	103078125
Reduced:	SO2N4C7H14 (1)
Stoich.:	AB2C4D7E14 (1)
Weight, g/mol:	238.190595
ΔH_f, kcal/mol:	-40.95
Dipole, Da:	6.19
IP(EA), eV:	-8.0(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazole-3,4-diamine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NCCS(=O)(=O)C)N

DOS

IR

Vibrations