Geometry & MOs

Info

ID:	384317
PubChem CID:	134976759
Reduced:	PBr2O6Cl8H10C26 (1)
Stoich.:	AB2C6D8E10F26 (1)
Weight, g/mol:	312.193985
ΔH_f, kcal/mol:	-219.59
Dipole, Da:	7.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.645879
Charge, e:	1

Chem-info

IUPAC name:

2-[2-hexoxyethoxy(hydroxy)phosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2C(O[P-]34(O2)(OC5=C(O3)C(=C(C(=C5Cl)Cl)Cl)Cl)OC6=C(O4)C(=C(C(=C6Cl)Cl)Cl)Cl)C7=CC=CC=C7Br)Br

DOS

IR

Vibrations