Geometry & MOs

Info

ID:	264318
PubChem CID:	103453884
Reduced:	ClFO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	228.096186
ΔH_f, kcal/mol:	-137.56
Dipole, Da:	3.13
IP(EA), eV:	-9.8(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-difluorophenyl)-3-hydroxyhexan-2-one

Drug info:

PubChemData

Smile

CCCC(C(=O)CC1=C(C=C(C=C1)F)Cl)O

DOS

IR

Vibrations