Geometry & MOs

Info

ID:	380566
PubChem CID:	134971048
Reduced:	OC9H12 (2)
Stoich.:	AB9C12 (2)
Weight, g/mol:	320.125988
ΔH_f, kcal/mol:	-105.47
Dipole, Da:	1.67
IP(EA), eV:	-8.85(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,9R)-4,5-dimethoxy-1-methyl-10-oxo-13-oxatricyclo[7.3.1.02,7]trideca-2,4,6-triene-11-carboxylate

Drug info:

PubChemData

Smile

C1CCC2(CC1)C3=C(C=C(C=C3)O)[C@@H]4CCCC[C@H]4O2

DOS

IR

Vibrations