Geometry & MOs

Info

ID:	248092
PubChem CID:	103078864
Reduced:	N2C4H7 (2)
Stoich.:	A2B4C7 (2)
Weight, g/mol:	214.125218
ΔH_f, kcal/mol:	56.79
Dipole, Da:	2.67
IP(EA), eV:	-7.83(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NCCC=C)N

DOS

IR

Vibrations