Geometry & MOs

Info

ID:	253297
PubChem CID:	103117486
Reduced:	OF3N4C11H15 (1)
Stoich.:	AB3C4D11E15 (1)
Weight, g/mol:	164.081044
ΔH_f, kcal/mol:	-170.66
Dipole, Da:	8.69
IP(EA), eV:	-9.38(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NC2CCC(NC2)C(F)(F)F

DOS

IR

Vibrations