Geometry & MOs

Info

ID:	155896
PubChem CID:	56368193
Reduced:	BrON4C16H17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	421.01927
ΔH_f, kcal/mol:	25.6
Dipole, Da:	2.87
IP(EA), eV:	-9.03(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NCCC2=CN3C=CC=CC3=N2)Br

DOS

IR

Vibrations