Geometry & MOs

Info

ID:	371832
PubChem CID:	131273910
Reduced:	FON4C10H11 (1)
Stoich.:	ABC4D10E11 (1)
Weight, g/mol:	271.961869
ΔH_f, kcal/mol:	-6.06
Dipole, Da:	4.26
IP(EA), eV:	-9.19(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-[6-chloro-3-hydroxy-2-(trifluoromethyl)phenyl]ethanone

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2=NNN=C2CN)F

DOS

IR

Vibrations