Geometry & MOs

Info

ID:	21387
PubChem CID:	588080
Reduced:	OF2N3H7C10 (1)
Stoich.:	AB2C3D7E10 (1)
Weight, g/mol:	223.055718
ΔH_f, kcal/mol:	-45.74
Dipole, Da:	4.8
IP(EA), eV:	-10.22(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)F)C(=O)CN2C=NC=N2

DOS

IR

Vibrations