Geometry & MOs

Info

ID:	214661
PubChem CID:	85083367
Reduced:	O10C31H38 (1)
Stoich.:	A10B31C38 (1)
Weight, g/mol:	570.298139
ΔH_f, kcal/mol:	-378.46
Dipole, Da:	7.23
IP(EA), eV:	-9.67(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5,6-tris(phenylmethoxy)-7-prop-2-enoxyspiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]

Drug info:

PubChemData

Smile

CC1=C2C(C(=O)C3(C(CC4C(C3CC(C2(C)C)(CC1O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)OC(=O)C

DOS

IR

Vibrations