Geometry & MOs

Info

ID:	319638
PubChem CID:	126656883
Reduced:	FN2O2H9C11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	233.09644
ΔH_f, kcal/mol:	-42.18
Dipole, Da:	2.94
IP(EA), eV:	-10.16(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-fluoro-6-(triazol-2-yl)phenyl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2=C(C=CC(=C2)F)C(=O)C

DOS

IR

Vibrations