Geometry & MOs

Info

ID:	14255
PubChem CID:	407249
Reduced:	NCl2C12H12 (2)
Stoich.:	AB2C12D12 (2)
Weight, g/mol:	482.066409
ΔH_f, kcal/mol:	58.26
Dipole, Da:	3.04
IP(EA), eV:	-7.09(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-[(3,4-dichlorophenyl)methyl]-3-[1-[(3,4-dichlorophenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl]pyridin-1-ium

Drug info:

PubChemData

Smile

C[N+]1(CCCC1C2=C[N+](=CC=C2)CC3=CC(=C(C=C3)Cl)Cl)CC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations