Geometry & MOs

Info

ID:	217243
PubChem CID:	85087490
Reduced:	O6C19H22 (1)
Stoich.:	A6B19C22 (1)
Weight, g/mol:	346.141638
ΔH_f, kcal/mol:	-77.75
Dipole, Da:	6.8
IP(EA), eV:	-10.13(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-acetyloxy-3,4a,5-trimethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-7-yl) acetate

Drug info:

PubChemData

Smile

CC12C3C(C45CC(CCC4C3(C(C6C1O6)O)OC2=O)C(=C)C5)C(=O)O

DOS

IR

Vibrations