Geometry & MOs

Info

ID:	248192
PubChem CID:	103079575
Reduced:	S2N4C7H8 (1)
Stoich.:	A2B4C7D8 (1)
Weight, g/mol:	210.068766
ΔH_f, kcal/mol:	87.67
Dipole, Da:	3.42
IP(EA), eV:	-8.36(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)SC2=NC=CS2)N

DOS

IR

Vibrations