Geometry & MOs

Info

ID:	159550
PubChem CID:	57288444
Reduced:	FO5C30H33 (1)
Stoich.:	AB5C30D33 (1)
Weight, g/mol:	292.203845
ΔH_f, kcal/mol:	-209.86
Dipole, Da:	3.51
IP(EA), eV:	-9.22(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3S,6R)-2-[(3R)-4-cyclopentyl-3-hydroxybut-1-enyl]-3-hydroxy-6-methylbicyclo[4.2.0]octan-7-one

Drug info:

PubChemData

Smile

CCCCCCCCCCOC1=CC(=C(C=C1)OC(=O)OC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)F

DOS

IR

Vibrations