Geometry & MOs

Info

ID:	155066
PubChem CID:	56320637
Reduced:	BrClN3O3H15C17 (1)
Stoich.:	ABC3D3E15F17 (1)
Weight, g/mol:	441.0255
ΔH_f, kcal/mol:	-62.8
Dipole, Da:	3.75
IP(EA), eV:	-9.29(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=CC(=CC=C2)NC(=O)C3=C(N=CC(=C3)Br)Cl

DOS

IR

Vibrations