Geometry & MOs

Info

ID:	1147
PubChem CID:	3855
Reduced:	NPO6C26H57 (1)
Stoich.:	ABC6D26E57 (1)
Weight, g/mol:	510.392351
ΔH_f, kcal/mol:	-396.72
Dipole, Da:	2.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752111
Charge, e:	1

Chem-info

IUPAC name:

2-[hydroxy-(2-hydroxy-3-octadecoxypropoxy)phosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations