Geometry & MOs

Info

ID:	424228
PubChem CID:	135121832
Reduced:	INOC13H20 (2)
Stoich.:	ABCD13E20 (2)
Weight, g/mol:	692.16071
ΔH_f, kcal/mol:	7.79
Dipole, Da:	22.11
IP(EA), eV:	-6.6(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-[diethyl-[(4-nitrophenyl)methyl]azaniumyl]ethoxy]ethoxy]ethyl-diethyl-[(4-nitrophenyl)methyl]azanium;dibromide

Drug info:

PubChemData

Smile

CCC=C(C1=CC=C(C=C1)OCC[N+](C)(C)C)C2=CC=C(C=C2)OCC[N+](C)(C)C.[I-].[I-]

DOS

IR

Vibrations