Geometry & MOs

Info

ID:	391985
PubChem CID:	135011626
Reduced:	O5C30H32 (1)
Stoich.:	A5B30C32 (1)
Weight, g/mol:	472.224974
ΔH_f, kcal/mol:	-112.05
Dipole, Da:	2.3
IP(EA), eV:	-9.23(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethenyl-6,7,8-tris(phenylmethoxy)-3,9-dioxabicyclo[3.3.1]nonane

Drug info:

PubChemData

Smile

C=C[C@@]12COC[C@@H](O1)[C@@H]([C@H]([C@@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations