Geometry & MOs

Info

ID:	207376
PubChem CID:	80388836
Reduced:	NF2O3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	277.139054
ΔH_f, kcal/mol:	-210.84
Dipole, Da:	5.32
IP(EA), eV:	-10.08(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-5-[(2,4-difluorophenyl)methyl]-1H-1,2,4-triazole

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)CC2=C(C=C(C=C2)F)F)C(=O)O

DOS

IR

Vibrations