Geometry & MOs

Info

ID:	224454
PubChem CID:	85343169
Reduced:	O4C14H17 (2)
Stoich.:	A4B14C17 (2)
Weight, g/mol:	500.168247
ΔH_f, kcal/mol:	-243.91
Dipole, Da:	4.37
IP(EA), eV:	-9.0(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 6,7-dihydroxy-1,5-bis(phenylmethoxymethyl)-3,8-dioxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylate

Drug info:

PubChemData

Smile

CC(=O)OCC=CC(C(C(C(C1C(O1)C=C)OCC2=CC=C(C=C2)OC)O)O)OCC3=CC=CC=C3

DOS

IR

Vibrations