Geometry & MOs

Info

ID:	45473
PubChem CID:	10513969
Reduced:	O4C13H16 (1)
Stoich.:	A4B13C16 (1)
Weight, g/mol:	236.08373
ΔH_f, kcal/mol:	-161.88
Dipole, Da:	3.55
IP(EA), eV:	-9.13(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,12S,13R)-pentacyclo[11.2.1.02,12.04,10.06,8]hexadeca-4(10),5,8,14-tetraene-3,11-dione

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=CC(=C1)CCOC(=O)C)OC

DOS

IR

Vibrations