Geometry & MOs

Info

ID:	11993
PubChem CID:	125718
Reduced:	Br2N3C31H69 (1)
Stoich.:	A2B3C31D69 (1)
Weight, g/mol:	643.38378
ΔH_f, kcal/mol:	-124.78
Dipole, Da:	13.35
IP(EA), eV:	-7.59(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[dimethyl(undecyl)azaniumyl]ethyl-methylamino]ethyl-dimethyl-undecylazanium;dibromide

Drug info:

PubChemData

Smile

CCCCCCCCCCC[N+](C)(C)CCN(C)CC[N+](C)(C)CCCCCCCCCCC.[Br-].[Br-]

DOS

IR

Vibrations