Geometry & MOs

Info

ID:	253656
PubChem CID:	103119802
Reduced:	OSN5C13H15 (1)
Stoich.:	ABC5D13E15 (1)
Weight, g/mol:	271.089167
ΔH_f, kcal/mol:	64.86
Dipole, Da:	6.76
IP(EA), eV:	-8.4(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopropyl-3-(1-methylindazol-3-yl)-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C3=NNC(=S)N3CCOC

DOS

IR

Vibrations