Geometry & MOs

Info

ID:	248183
PubChem CID:	103079519
Reduced:	SN3C10H11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	276.115716
ΔH_f, kcal/mol:	70.31
Dipole, Da:	3.69
IP(EA), eV:	-8.32(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-methylpyrazol-4-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)SC2=CC=CC=C2)N

DOS

IR

Vibrations