Geometry & MOs

Info

ID:	221154
PubChem CID:	85257059
Reduced:	O3C7H12 (2)
Stoich.:	A3B7C12 (2)
Weight, g/mol:	288.136159
ΔH_f, kcal/mol:	-281.8
Dipole, Da:	0.72
IP(EA), eV:	-10.1(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(hydroxymethyl)-1-methyl-4-oxocyclopentyl]prop-2-enyl benzoate

Drug info:

PubChemData

Smile

CC1(OCC(O1)C(C(C=C)(C2COC(O2)(C)C)O)O)C

DOS

IR

Vibrations