Geometry & MOs

Info

ID:	393684
PubChem CID:	135021473
Reduced:	ON3H19C24 (1)
Stoich.:	AB3C19D24 (1)
Weight, g/mol:	285.126598
ΔH_f, kcal/mol:	144.68
Dipole, Da:	5.74
IP(EA), eV:	-8.81(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-5-(2-phenylethynyl)-1-prop-2-enyltriazole

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CN2C(=C(N=N2)C3=CC=CC=C3)C#CC4=CC=CC=C4

DOS

IR

Vibrations