Geometry & MOs

Info

ID:	275934
PubChem CID:	103819248
Reduced:	BrON2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	305.96738
ΔH_f, kcal/mol:	-40.03
Dipole, Da:	3.41
IP(EA), eV:	-9.16(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromopyridin-3-yl)-2-methylsulfonylpropanamide

Drug info:

PubChemData

Smile

CC1(CCCC1)C(=O)NC2=C(N=CC=C2)Br

DOS

IR

Vibrations