Geometry & MOs

Info

ID:	397855
PubChem CID:	135030846
Reduced:	O3C25H26 (1)
Stoich.:	A3B25C26 (1)
Weight, g/mol:	218.094294
ΔH_f, kcal/mol:	-53.61
Dipole, Da:	5.65
IP(EA), eV:	-8.63(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9R)-9,13-dihydroxytricyclo[7.2.2.02,7]trideca-2,4,6-trien-10-one

Drug info:

PubChemData

Smile

CC(C)(C(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations