Geometry & MOs

Info

ID:	385139
PubChem CID:	134978396
Reduced:	NPO5C21H47 (1)
Stoich.:	ABC5D21E47 (1)
Weight, g/mol:	286.109898
ΔH_f, kcal/mol:	-260.38
Dipole, Da:	11.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.758578
Charge, e:	0

Chem-info

IUPAC name:

1-[ethyl-[ethyl(propoxy)phosphoryl]oxyphosphoryl]oxypropane

Drug info:

PubChemData

Smile

CCCCCCOCCCCCCCCCCOP(=O)(O)OCC[N+](C)(C)C

DOS

IR

Vibrations