Geometry & MOs

Info

ID:	324479
PubChem CID:	126677740
Reduced:	PN3O3C12H26 (1)
Stoich.:	AB3C3D12E26 (1)
Weight, g/mol:	319.110788
ΔH_f, kcal/mol:	-217.64
Dipole, Da:	1.3
IP(EA), eV:	-8.96(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOP(=O)(N1CCN(CC1)C(=O)C(C)C)N(C)C

DOS

IR

Vibrations