Geometry & MOs

Info

ID:	287832
PubChem CID:	104295962
Reduced:	OF2N2C15H18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	271.092104
ΔH_f, kcal/mol:	-102.49
Dipole, Da:	1.97
IP(EA), eV:	-9.02(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-difluoro-5-methylphenyl)-4-phenyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)F)C2=C(N=CO2)CNC(C)(C)C

DOS

IR

Vibrations