Geometry & MOs

Info

ID:	413655
PubChem CID:	135086604
Reduced:	PO2C14H14 (1)
Stoich.:	AB2C14D14 (1)
Weight, g/mol:	456.15253
ΔH_f, kcal/mol:	0.29
Dipole, Da:	3.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.073122
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S)-2-cyclohexyl-4-iodo-6-(4-phenylmethoxybutyl)oxane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCO[P+](=O)C2=CC=CC=C2

DOS

IR

Vibrations