Geometry & MOs

Info

ID:	324202
PubChem CID:	126677132
Reduced:	ON7H21C23 (1)
Stoich.:	AB7C21D23 (1)
Weight, g/mol:	345.108897
ΔH_f, kcal/mol:	144.19
Dipole, Da:	6.26
IP(EA), eV:	-8.99(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-2-(4-methylphenyl)ethenyl]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=CC=C2CN3C=C(C=N3)CC4=CC(=NC5=NNN=C45)N

DOS

IR

Vibrations