Geometry & MOs

Info

ID:	394204
PubChem CID:	135022530
Reduced:	O3C12H13 (2)
Stoich.:	A3B12C13 (2)
Weight, g/mol:	438.204239
ΔH_f, kcal/mol:	-176.22
Dipole, Da:	7.98
IP(EA), eV:	-8.63(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-3,4-bis[(3-methoxy-4-prop-2-enoxyphenyl)methyl]oxolan-2-one

Drug info:

PubChemData

Smile

COC1=C2C=CC(=C1)C[C@H]3COC(=O)[C@@H]3CC4=CC(=C(C=C4)OC/C=C\CO2)OC

DOS

IR

Vibrations