Geometry & MOs

Info

ID:	68068
PubChem CID:	46507705
Reduced:	ClO2N5H12C17 (1)
Stoich.:	AB2C5D12E17 (1)
Weight, g/mol:	342.151433
ΔH_f, kcal/mol:	28.49
Dipole, Da:	2.03
IP(EA), eV:	-9.21(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethylphenyl)-1-(6-sulfanylidene-1H-pyridazin-3-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=CC3=NN(C(=O)N23)CC(=O)NC4=CC=CC=C4Cl

DOS

IR

Vibrations