Geometry & MOs

Info

ID:	218132
PubChem CID:	85088921
Reduced:	O7C24H32 (1)
Stoich.:	A7B24C32 (1)
Weight, g/mol:	432.193674
ΔH_f, kcal/mol:	-268.29
Dipole, Da:	2.86
IP(EA), eV:	-8.8(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-phenyl-3,4-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-2-ol

Drug info:

PubChemData

Smile

CC1(OCC(O1)C(C(CO)OCC2=CC=C(C=C2)OC)OCC3=CC=C(C=C3)OC)C

DOS

IR

Vibrations