Geometry & MOs

Info

ID:	18287
PubChem CID:	539364
Reduced:	O5C16H22 (1)
Stoich.:	A5B16C22 (1)
Weight, g/mol:	294.146724
ΔH_f, kcal/mol:	-210.76
Dipole, Da:	3.58
IP(EA), eV:	-10.0(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl)-3-methylpenta-2,4-dienoate

Drug info:

PubChemData

Smile

CC(=CC(=O)OC)C=CC1(C2(CC(=O)CC1(OC2)C)C)O

DOS

IR

Vibrations