Geometry & MOs

Info

ID:	169007
PubChem CID:	75054350
Reduced:	FO2C20H23 (1)
Stoich.:	AB2C20D23 (1)
Weight, g/mol:	382.155593
ΔH_f, kcal/mol:	-91.74
Dipole, Da:	1.98
IP(EA), eV:	-9.6(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-one

Drug info:

PubChemData

Smile

CC1=C(C(CCC1O)(C)C)C=CC(=O)C=CC2=CC=C(C=C2)F

DOS

IR

Vibrations