Geometry & MOs

Info

ID:	380586
PubChem CID:	134971073
Reduced:	OC10H11 (2)
Stoich.:	AB10C11 (2)
Weight, g/mol:	320.125988
ΔH_f, kcal/mol:	-64.29
Dipole, Da:	2.08
IP(EA), eV:	-8.98(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,9S)-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

CC1(C2=C(C=C(C=C2)O)[C@@H]3CCCC[C@H]3O1)C4=CC=CC=C4

DOS

IR

Vibrations