Geometry & MOs

Info

ID:	391999
PubChem CID:	135011822
Reduced:	O6C21H26 (1)
Stoich.:	A6B21C26 (1)
Weight, g/mol:	564.287574
ΔH_f, kcal/mol:	-212.63
Dipole, Da:	2.46
IP(EA), eV:	-9.47(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)cyclooct-4-en-1-ol

Drug info:

PubChemData

Smile

CO[C@@H]1[C@H]([C@H](C([C@H](O1)COCC2=CC=CC=C2)O)O)OCC3=CC=CC=C3

DOS

IR

Vibrations