Geometry & MOs

Info

ID:	216704
PubChem CID:	85086642
Reduced:	O5C16H22 (1)
Stoich.:	A5B16C22 (1)
Weight, g/mol:	294.146724
ΔH_f, kcal/mol:	-220.86
Dipole, Da:	2.48
IP(EA), eV:	-9.85(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-7-methoxy-6,10,13-trimethyl-2-oxatricyclo[7.3.1.05,13]tridec-6-ene-3,8-dione

Drug info:

PubChemData

Smile

CC1(OC2C3C(CCC4C3C(=CC(=O)C4)OC)OC2O1)C

DOS

IR

Vibrations