Geometry & MOs

Info

ID:	126300
PubChem CID:	50959061
Reduced:	ON6C16H20 (1)
Stoich.:	AB6C16D20 (1)
Weight, g/mol:	281.132826
ΔH_f, kcal/mol:	52.68
Dipole, Da:	7.25
IP(EA), eV:	-9.27(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-fluoro-2-methylphenyl)-5-(2-phenylethyl)-1H-1,2,4-triazole

Drug info:

PubChemData

Smile

CCCN1C(=C(C=N1)C(=O)NCCN2C3=CC=CC=C3N=N2)C

DOS

IR

Vibrations