Geometry & MOs

Info

ID:	217671
PubChem CID:	85088194
Reduced:	PO8C17H25 (1)
Stoich.:	AB8C17D25 (1)
Weight, g/mol:	388.115818
ΔH_f, kcal/mol:	-382.95
Dipole, Da:	3.3
IP(EA), eV:	-10.2(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-1,4-bis(4-hydroxy-3-methoxyphenyl)-3,3a,4,6a-tetrahydro-1H-furo[3,4-c]furan-6-one

Drug info:

PubChemData

Smile

CCOP(=O)(C1(C2CCC(C2)C1=O)C(=CC(=O)OC)C(=O)OC)OCC

DOS

IR

Vibrations