Geometry & MOs

Info

ID:	2338
PubChem CID:	6903
Reduced:	NOCl5C25H42 (1)
Stoich.:	ABC5D25E42 (1)
Weight, g/mol:	549.167953
ΔH_f, kcal/mol:	-127.37
Dipole, Da:	18.07
IP(EA), eV:	-7.54(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexadecyl(trimethyl)azanium;2,3,4,5,6-pentachlorophenolate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC[N+](C)(C)C.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O-]

DOS

IR

Vibrations