Geometry & MOs

Info

ID:	82188
PubChem CID:	49855736
Reduced:	OC5H8 (2)
Stoich.:	AB5C8 (2)
Weight, g/mol:	272.17763
ΔH_f, kcal/mol:	-99.17
Dipole, Da:	6.9
IP(EA), eV:	-8.92(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-methyl-3-(5-pent-4-enylfuran-2-yl)-2-prop-2-enylcyclopentan-1-one

Drug info:

PubChemData

Smile

CC1=C(CCC1=O)OC(C)(C)C

DOS

IR

Vibrations