Geometry & MOs

Info

ID:	393749
PubChem CID:	135021595
Reduced:	O5H26C30 (1)
Stoich.:	A5B26C30 (1)
Weight, g/mol:	314.22458
ΔH_f, kcal/mol:	-15.04
Dipole, Da:	3.7
IP(EA), eV:	-8.02(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,7E,11Z,14R,17S)-17-hydroxy-4,8,12-trimethylbicyclo[12.2.2]octadeca-1(16),3,7,11-tetraen-15-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C2=CC=CC=C21)OC)C#CCOCC#CC3=C(C4=CC=CC=C4C(=C3)OC)OC

DOS

IR

Vibrations