Geometry & MOs

Info

ID:	1205
PubChem CID:	3985
Reduced:	NPO6C26H56 (1)
Stoich.:	ABC6D26E56 (1)
Weight, g/mol:	509.384526
ΔH_f, kcal/mol:	-402.97
Dipole, Da:	13.1
IP(EA), eV:	-9.67(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroxy-3-octadecoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations