Geometry & MOs

Info

ID:	340816
PubChem CID:	127263251
Reduced:	BrNO2C20H25 (2)
Stoich.:	ABC2D20E25 (2)
Weight, g/mol:	622.377058
ΔH_f, kcal/mol:	-22.25
Dipole, Da:	137.38
IP(EA), eV:	-4.26(-4.24)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

8-pyridin-1-ium-1-yloctyl 4-[4-(8-pyridin-1-ium-1-yloctoxycarbonyl)phenyl]benzoate

Drug info:

PubChemData

Smile

C1=CC=[N+](C=C1)CCCCCCCCOC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OCCCCCCCC[N+]4=CC=CC=C4.[Br-].[Br-]

DOS

IR

Vibrations