Geometry & MOs

Info

ID:	372459
PubChem CID:	131298024
Reduced:	NOF2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	238.000842
ΔH_f, kcal/mol:	-108.83
Dipole, Da:	4.67
IP(EA), eV:	-9.89(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-(2,3,6-trifluoro-4-methoxyphenyl)ethanone

Drug info:

PubChemData

Smile

CC(C)(CC1=CC(=C(C=C1CO)F)F)C#N

DOS

IR

Vibrations