Geometry & MOs

Info

ID:	175831
PubChem CID:	75956801
Reduced:	NPO7C39H81 (1)
Stoich.:	ABC7D39E81 (1)
Weight, g/mol:	796.622016
ΔH_f, kcal/mol:	-500.11
Dipole, Da:	10.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754206
Charge, e:	1

Chem-info

IUPAC name:

2-[hydroxy-(2-icosa-8,11,14-trienoyloxy-3-octadec-1-enoxypropoxy)phosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations