Geometry & MOs

Info

ID:	14823
PubChem CID:	421771
Reduced:	Cl2O2N3C16H16 (1)
Stoich.:	A2B2C3D16E16 (1)
Weight, g/mol:	352.061957
ΔH_f, kcal/mol:	-45.54
Dipole, Da:	7.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.935847
Charge, e:	1

Chem-info

IUPAC name:

1-[(2,6-dichlorophenyl)methyl]-3-N,5-N-dimethylpyridin-1-ium-3,5-dicarboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CC(=C[N+](=C1)CC2=C(C=CC=C2Cl)Cl)C(=O)NC

DOS

IR

Vibrations