Geometry & MOs

Info

ID:	384663
PubChem CID:	134977422
Reduced:	Br2O2C19H24 (1)
Stoich.:	A2B2C19D24 (1)
Weight, g/mol:	206.13068
ΔH_f, kcal/mol:	-48.91
Dipole, Da:	1.9
IP(EA), eV:	-9.41(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-3-but-3-enyl-2-hydroxy-5-methylidene-4-propylcyclopent-2-en-1-one

Drug info:

PubChemData

Smile

CC(C(OCC=C=C)OC1CCCC[C@@H]1C2=CC=CC=C2)(Br)Br

DOS

IR

Vibrations