Geometry & MOs

Info

ID:	155222
PubChem CID:	56322757
Reduced:	BrFON5C20H21 (1)
Stoich.:	ABCD5E20F21 (1)
Weight, g/mol:	428.96464
ΔH_f, kcal/mol:	-8.36
Dipole, Da:	6.29
IP(EA), eV:	-9.14(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NC2=CC(=C(C=C2)F)C3=NN=C4N3CCCCC4)Br

DOS

IR

Vibrations