Geometry & MOs

Info

ID:	24940
PubChem CID:	615079
Reduced:	O4C17H20 (1)
Stoich.:	A4B17C20 (1)
Weight, g/mol:	288.136159
ΔH_f, kcal/mol:	-96.48
Dipole, Da:	6.58
IP(EA), eV:	-8.98(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4a,5-trimethyl-9-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-4-yl) acetate

Drug info:

PubChemData

Smile

CC1CCC=C2C1(C(C3=C(C2=O)OC=C3C)OC(=O)C)C

DOS

IR

Vibrations