Geometry & MOs

Info

ID:	754
PubChem CID:	3317
Reduced:	OC5H7 (6)
Stoich.:	AB5C7 (6)
Weight, g/mol:	498.298139
ΔH_f, kcal/mol:	-237.7
Dipole, Da:	3.3
IP(EA), eV:	-9.22(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] deca-3,5-dienoate

Drug info:

PubChemData

Smile

CCCCC=CC=CCC(=O)OC12CC(C3(C(C1C2(C)C)C=C(CC4(C3C=C(C4=O)C)O)CO)O)C

DOS

IR

Vibrations