Geometry & MOs

Info

ID:	14675
PubChem CID:	417295
Reduced:	ClO2N3C13H19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	284.11658
ΔH_f, kcal/mol:	-64.87
Dipole, Da:	2.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.968828
Charge, e:	1

Chem-info

IUPAC name:

1-(2-chloroethyl)-3-N,3-N,5-N,5-N-tetramethylpyridin-1-ium-3,5-dicarboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC(=C[N+](=C1)CCCl)C(=O)N(C)C

DOS

IR

Vibrations