Geometry & MOs

Info

ID:	141557
PubChem CID:	52893695
Reduced:	ClON3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	365.093592
ΔH_f, kcal/mol:	-37.64
Dipole, Da:	4.95
IP(EA), eV:	-8.9(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-chloro-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)Cl)N2CCN(CC2)C

DOS

IR

Vibrations