Geometry & MOs

Info

ID:	270092
PubChem CID:	103626977
Reduced:	Cl2O2N3C12H15 (1)
Stoich.:	A2B2C3D12E15 (1)
Weight, g/mol:	299.989089
ΔH_f, kcal/mol:	-89.27
Dipole, Da:	3.47
IP(EA), eV:	-9.89(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CNC(=O)C1=C(N=C(C=C1)Cl)Cl

DOS

IR

Vibrations