Geometry & MOs

Info

ID:	232344
PubChem CID:	87576038
Reduced:	NaO3C9H12 (1)
Stoich.:	AB3C9D12 (1)
Weight, g/mol:	332.284418
ΔH_f, kcal/mol:	-84.36
Dipole, Da:	5.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750000
Charge, e:	0

Chem-info

IUPAC name:

1-di(octan-4-yl)phosphorylpropan-1-ol

Drug info:

PubChemData

Smile

C/C=C(\C)/C(=O)OC(=O)C(=C)C.[Na]

DOS

IR

Vibrations