Geometry & MOs

Info

ID:	1492
PubChem CID:	4590
Reduced:	NPO5C25H53 (1)
Stoich.:	ABC5D25E53 (1)
Weight, g/mol:	478.366136
ΔH_f, kcal/mol:	-328.51
Dipole, Da:	10.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754124
Charge, e:	1

Chem-info

IUPAC name:

2-[hydroxy(2-octadec-9-enoxyethoxy)phosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCCOCCOP(=O)(O)OCC[N+](C)(C)C

DOS

IR

Vibrations