Geometry & MOs

Info

ID:	282067
PubChem CID:	103915106
Reduced:	BrON2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	297.08406
ΔH_f, kcal/mol:	-35.77
Dipole, Da:	1.47
IP(EA), eV:	-8.68(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-6-methylpyridin-2-yl)-4-propan-2-ylpiperazine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)NC(C)C2CCCO2)Br

DOS

IR

Vibrations