Geometry & MOs

Info

ID:	19685
PubChem CID:	570349
Reduced:	O7H24C27 (1)
Stoich.:	A7B24C27 (1)
Weight, g/mol:	460.152203
ΔH_f, kcal/mol:	-210.16
Dipole, Da:	4.8
IP(EA), eV:	-9.58(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9-benzoyloxy-3-phenyl-2,4,7-trioxabicyclo[3.3.1]nonan-6-yl)methyl benzoate

Drug info:

PubChemData

Smile

C1C2C(C(C(O1)COC(=O)C3=CC=CC=C3)OC(O2)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

DOS

IR

Vibrations