Geometry & MOs

Info

ID:	270187
PubChem CID:	103632905
Reduced:	BrOSCl2N2H7C11 (1)
Stoich.:	ABCD2E2F7G11 (1)
Weight, g/mol:	321.007182
ΔH_f, kcal/mol:	17.61
Dipole, Da:	2.85
IP(EA), eV:	-9.52(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dichloro-N-[3-(cyanomethoxy)phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1C(=O)NCC2=CC=C(S2)Br)Cl)Cl

DOS

IR

Vibrations