Geometry & MOs

Info

ID:	3823
PubChem CID:	10265
Reduced:	NOCl5C27H46 (1)
Stoich.:	ABC5D27E46 (1)
Weight, g/mol:	577.199253
ΔH_f, kcal/mol:	-141.07
Dipole, Da:	16.31
IP(EA), eV:	-7.68(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations