Geometry & MOs

Info

ID:	3254
PubChem CID:	9399
Reduced:	BrNO2C12H17 (2)
Stoich.:	ABC2D12E17 (2)
Weight, g/mol:	574.08648
ΔH_f, kcal/mol:	-140.36
Dipole, Da:	12.37
IP(EA), eV:	-8.27(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(2-hydroxy-4,4-dimethylmorpholin-4-ium-2-yl)phenyl]phenyl]-4,4-dimethylmorpholin-4-ium-2-ol;dibromide

Drug info:

PubChemData

Smile

C[N+]1(CCOC(C1)(C2=CC=C(C=C2)C3=CC=C(C=C3)C4(C[N+](CCO4)(C)C)O)O)C.[Br-].[Br-]

DOS

IR

Vibrations