Geometry & MOs

Info

ID:	248187
PubChem CID:	103079537
Reduced:	SN4C9H10 (1)
Stoich.:	AB4C9D10 (1)
Weight, g/mol:	210.068766
ΔH_f, kcal/mol:	80.9
Dipole, Da:	5.45
IP(EA), eV:	-8.43(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)SC2=CC=CC=N2)N

DOS

IR

Vibrations