Geometry & MOs

Info

ID:	275923
PubChem CID:	103819193
Reduced:	BrON2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	321.97755
ΔH_f, kcal/mol:	-43.77
Dipole, Da:	3.2
IP(EA), eV:	-9.22(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromopyridin-3-yl)-4-methylsulfanylbenzamide

Drug info:

PubChemData

Smile

CCCC(C)C(=O)NC1=C(N=CC=C1)Br

DOS

IR

Vibrations