Geometry & MOs

Info

ID:	279152
PubChem CID:	103841707
Reduced:	BrClOSN2H12C13 (1)
Stoich.:	ABCDE2F12G13 (1)
Weight, g/mol:	337.98215
ΔH_f, kcal/mol:	6.98
Dipole, Da:	4.9
IP(EA), eV:	-9.54(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-[(6-methylpyridin-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN(C)C(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations