Geometry & MOs

Info

ID:	405790
PubChem CID:	135075451
Reduced:	O2F3H9C11 (1)
Stoich.:	A2B3C9D11 (1)
Weight, g/mol:	256.091101
ΔH_f, kcal/mol:	-174.03
Dipole, Da:	2.71
IP(EA), eV:	-9.83(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-difluoro-1-hydroxy-1-(4-methoxyphenyl)hex-5-en-3-one

Drug info:

PubChemData

Smile

CC(C#COC1=CC=C(C=C1)C(F)(F)F)O

DOS

IR

Vibrations