Geometry & MOs

Info

ID:	272699
PubChem CID:	103752013
Reduced:	BrON4C14H21 (1)
Stoich.:	ABC4D14E21 (1)
Weight, g/mol:	340.08987
ΔH_f, kcal/mol:	-17.94
Dipole, Da:	4.38
IP(EA), eV:	-8.47(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCCNC(=O)C2=CC(=NC=C2)Br

DOS

IR

Vibrations