Geometry & MOs

Info

ID:	397807
PubChem CID:	135030758
Reduced:	O6C21H26 (1)
Stoich.:	A6B21C26 (1)
Weight, g/mol:	332.125988
ΔH_f, kcal/mol:	-213.43
Dipole, Da:	6.02
IP(EA), eV:	-8.18(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (1S,2R,6R)-6-methyl-8-oxo-2-phenyl-7-oxabicyclo[4.2.0]octane-3,3-dicarboxylate

Drug info:

PubChemData

Smile

CC1C(C2=C(C3=C(C(=C(C=C3C(=C2O1)C(=O)C)OC)OC)OC)OC)(C)C

DOS

IR

Vibrations