Geometry & MOs

Info

ID:	329050
PubChem CID:	126730776
Reduced:	PO7C32H38 (1)
Stoich.:	AB7C32D38 (1)
Weight, g/mol:	246.183109
ΔH_f, kcal/mol:	-241.68
Dipole, Da:	6.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.942869
Charge, e:	0

Chem-info

IUPAC name:

octyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate

Drug info:

PubChemData

Smile

CC(C(=O)OCCOC(=O)CCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)COC

DOS

IR

Vibrations