Geometry & MOs

Info

ID:	139551
PubChem CID:	52555131
Reduced:	Cl2N3O4H11C21 (1)
Stoich.:	A2B3C4D11E21 (1)
Weight, g/mol:	348.015783
ΔH_f, kcal/mol:	18.83
Dipole, Da:	9.98
IP(EA), eV:	-9.46(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N,N-bis(thiophen-2-ylmethyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)NC3=CC(=C(C=C3)Cl)C#N

DOS

IR

Vibrations