Geometry & MOs

Info

ID:	1204
PubChem CID:	3984
Reduced:	NPO6C24H53 (1)
Stoich.:	ABC6D24E53 (1)
Weight, g/mol:	482.36105
ΔH_f, kcal/mol:	-381.66
Dipole, Da:	11.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754731
Charge, e:	1

Chem-info

IUPAC name:

2-[(3-hexadecoxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+](C)(C)C)O

DOS

IR

Vibrations