Geometry & MOs

Info

ID:	11632
PubChem CID:	118295
Reduced:	NPO6C40H85 (1)
Stoich.:	ABC6D40E85 (1)
Weight, g/mol:	706.611451
ΔH_f, kcal/mol:	-453.62
Dipole, Da:	3.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754508
Charge, e:	1

Chem-info

IUPAC name:

2-[2,3-dihexadecoxypropoxy(hydroxy)phosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+](C)(C)C)OCCCCCCCCCCCCCCCC

DOS

IR

Vibrations