Geometry & MOs

Info

ID:	425655
PubChem CID:	135127199
Reduced:	F3N3O4C24H26 (1)
Stoich.:	A3B3C4D24E26 (1)
Weight, g/mol:	363.173548
ΔH_f, kcal/mol:	-273.7
Dipole, Da:	5.63
IP(EA), eV:	-8.79(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1E)-1-(2-methylphenyl)buta-1,3-dienyl]-3,5-diphenyl-1,2,4-triazole

Drug info:

PubChemData

Smile

COC(=O)C(=CNC1=CC=C(C=C1)CN2CCN(CC2)C3=CC=C(C=C3)C(F)(F)F)C(=O)OC

DOS

IR

Vibrations