Geometry & MOs

Info

ID:	401342
PubChem CID:	135050999
Reduced:	NOSnCl5C18H18 (1)
Stoich.:	ABCD5E18F18 (1)
Weight, g/mol:	264.138839
ΔH_f, kcal/mol:	-100.65
Dipole, Da:	13.22
IP(EA), eV:	-9.85(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(2-oxo-1,2-diphenylethyl)butanenitrilium

Drug info:

PubChemData

Smile

CCCC#[N+]C(C1=CC=CC=C1)C(=O)C2=CC=CC=C2.Cl[Sn-](Cl)(Cl)(Cl)Cl

DOS

IR

Vibrations