Geometry & MOs

Info

ID:	272698
PubChem CID:	103751883
Reduced:	BrON2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	340.08987
ΔH_f, kcal/mol:	-11.15
Dipole, Da:	3.76
IP(EA), eV:	-9.36(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN(CC1CC1)C(=O)C2=C(N=CC=C2)Br

DOS

IR

Vibrations