Geometry & MOs

Info

ID:	393750
PubChem CID:	135021598
Reduced:	O2C21H30 (1)
Stoich.:	A2B21C30 (1)
Weight, g/mol:	312.20893
ΔH_f, kcal/mol:	-82.25
Dipole, Da:	2.42
IP(EA), eV:	-9.2(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,7E,11Z,14R)-4,8,12-trimethylbicyclo[12.2.2]octadeca-1(16),3,7,11-tetraene-15,17-dione

Drug info:

PubChemData

Smile

C/C/1=C\CC/C(=C\CC2=CC(=O)[C@@H](C[C@@H]2O)C/C(=C\CC1)/C)/C

DOS

IR

Vibrations