Geometry & MOs

Info

ID:	396261
PubChem CID:	135027883
Reduced:	OC4H6 (2)
Stoich.:	AB4C6 (2)
Weight, g/mol:	339.173548
ΔH_f, kcal/mol:	-55.42
Dipole, Da:	1.66
IP(EA), eV:	-10.9(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-diphenylpropyl)-4-phenyltriazole

Drug info:

PubChemData

Smile

CC(C)(CC(=O)OC)C#C

DOS

IR

Vibrations