Geometry & MOs

Info

ID:	169008
PubChem CID:	75054351
Reduced:	O2F4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	382.155593
ΔH_f, kcal/mol:	-258.32
Dipole, Da:	2.5
IP(EA), eV:	-9.76(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-fluoro-5-(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)C(F)(F)F

DOS

IR

Vibrations