Geometry & MOs

Info

ID:	16784
PubChem CID:	476796
Reduced:	PN2O6C28H60 (1)
Stoich.:	AB2C6D28E60 (1)
Weight, g/mol:	551.4189
ΔH_f, kcal/mol:	-392.91
Dipole, Da:	2.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753905
Charge, e:	1

Chem-info

IUPAC name:

2-[[3-(dodecanoylamino)-2-octoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)NCC(COP(=O)(O)OCC[N+](C)(C)C)OCCCCCCCC

DOS

IR

Vibrations