Geometry & MOs

Info

ID:	5951
PubChem CID:	14172
Reduced:	Cl2N2O2C17H24 (1)
Stoich.:	A2B2C2D17E24 (1)
Weight, g/mol:	358.121483
ΔH_f, kcal/mol:	-121.07
Dipole, Da:	4.5
IP(EA), eV:	-8.74(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[5-(4-azaniumylphenoxy)pentoxy]phenyl]azanium;dichloride

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[NH3+])OCCCCCOC2=CC=C(C=C2)[NH3+].[Cl-].[Cl-]

DOS

IR

Vibrations