Geometry & MOs

Info

ID:	136519
PubChem CID:	52055787
Reduced:	ClON4C24H31 (1)
Stoich.:	ABC4D24E31 (1)
Weight, g/mol:	424.202989
ΔH_f, kcal/mol:	-10.18
Dipole, Da:	5.93
IP(EA), eV:	-8.48(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCCC(CCC1)NC(=O)C2CCN(CC2)C3=NN=C(C=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations