Geometry & MOs

Info

ID:	49677
PubChem CID:	11533529
Reduced:	ON2C34H54 (1)
Stoich.:	AB2C34D54 (1)
Weight, g/mol:	504.91194
ΔH_f, kcal/mol:	-54.37
Dipole, Da:	3.28
IP(EA), eV:	-8.65(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-benzylimidazol-3-ium-1-yl)methyl]pyridine;dichloro(iodo)nickel(1-)

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C(=O)N(CC2=CC=C(C=C2)C#CCCC)C3CCN(CC3)CCC(C)C

DOS

IR

Vibrations