Geometry & MOs

Info

ID:	541
PubChem CID:	2961
Reduced:	NPO7C46H82 (1)
Stoich.:	ABC7D46E82 (1)
Weight, g/mol:	791.582891
ΔH_f, kcal/mol:	-397.16
Dipole, Da:	10.53
IP(EA), eV:	-9.3(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-docosa-4,7,10,13,16,19-hexaenoyloxy-3-hexadecoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations