Geometry & MOs

Info

ID:	324472
PubChem CID:	126677730
Reduced:	FO3N6C27H27 (1)
Stoich.:	AB3C6D27E27 (1)
Weight, g/mol:	355.091945
ΔH_f, kcal/mol:	-60.35
Dipole, Da:	3.91
IP(EA), eV:	-8.53(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,3,4,4,5,5,5-heptafluoropentyl)-3-(4-methylphenyl)-1,2,4-triazole

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2=C(C1=O)C(=CC(=N2)C3=C(C=CC=C3F)C#N)N4C=CC(=N4)N5CCCCC5

DOS

IR

Vibrations