Geometry & MOs

Info

ID:	147048
PubChem CID:	53786530
Reduced:	OF3H10C12 (2)
Stoich.:	AB3C10D12 (2)
Weight, g/mol:	344.251544
ΔH_f, kcal/mol:	-351.85
Dipole, Da:	3.09
IP(EA), eV:	-9.48(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-[(1S,3aS,7aS)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-4-fluoropent-2-enal

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CC(O)OCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3

DOS

IR

Vibrations