Geometry & MOs

Info

ID:	84989
PubChem CID:	49871202
Reduced:	PO6C16H21 (1)
Stoich.:	AB6C16D21 (1)
Weight, g/mol:	464.214016
ΔH_f, kcal/mol:	-279.11
Dipole, Da:	3.72
IP(EA), eV:	-8.9(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R)-1,2,3,4,5-pentakis-phenylcyclopent-3-en-1-ol

Drug info:

PubChemData

Smile

CCOP(=O)([C@@H]1[C@H](C2=C(C=C(C=C2)OC)OC1=O)C=C)OCC

DOS

IR

Vibrations