Geometry & MOs

Info

ID:	141558
PubChem CID:	52893696
Reduced:	OCl2N4C17H19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	364.085767
ΔH_f, kcal/mol:	42.73
Dipole, Da:	5.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.787970
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=C(N=CC=C3)Cl

DOS

IR

Vibrations