Geometry & MOs

Info

ID:	297867
PubChem CID:	117635387
Reduced:	PO5C14H28 (1)
Stoich.:	AB5C14D28 (1)
Weight, g/mol:	218.167065
ΔH_f, kcal/mol:	-253.03
Dipole, Da:	9.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756151
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-propan-2-ylcyclopentyl]oxymethylbenzene

Drug info:

PubChemData

Smile

CC(=O)OCC(C)(COC)C(=O)OCCC[P+](C)(C)C

DOS

IR

Vibrations