Geometry & MOs

Info

ID:	155223
PubChem CID:	56322759
Reduced:	BrCl2O2N3H14C16 (1)
Stoich.:	AB2C2D3E14F16 (1)
Weight, g/mol:	489.0091
ΔH_f, kcal/mol:	-29.15
Dipole, Da:	4.51
IP(EA), eV:	-9.22(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-benzamido-2,5-dimethoxyphenyl)-5-bromo-2-chloropyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C2=C(C=C(C=C2)Cl)NC(=O)C3=C(N=CC(=C3)Br)Cl

DOS

IR

Vibrations