Geometry & MOs

Info

ID:	282060
PubChem CID:	103915031
Reduced:	BrON4C9H13 (1)
Stoich.:	ABC4D9E13 (1)
Weight, g/mol:	345.08406
ΔH_f, kcal/mol:	-19.27
Dipole, Da:	7.2
IP(EA), eV:	-9.15(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-(5-bromo-6-methylpyridin-2-yl)piperazine

Drug info:

PubChemData

Smile

C1=C(C(=NC=N1)NCCCCC(=O)N)Br

DOS

IR

Vibrations