Geometry & MOs

Info

ID:	182427
PubChem CID:	76888182
Reduced:	Cl2O2N6H20C23 (1)
Stoich.:	A2B2C6D20E23 (1)
Weight, g/mol:	293.067952
ΔH_f, kcal/mol:	59.05
Dipole, Da:	8.68
IP(EA), eV:	-8.96(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-chloro-3-oxo-4H-pyridazin-5-yl)amino]ethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=NC(=O)C3C=CC=CC3=N2)C4=C(C(=O)N(N=C4)C5=CC=C(C=C5)Cl)Cl

DOS

IR

Vibrations