Geometry & MOs

Info

ID:	136521
PubChem CID:	52055789
Reduced:	ClON4C25H27 (1)
Stoich.:	ABC4D25E27 (1)
Weight, g/mol:	405.196489
ΔH_f, kcal/mol:	25.82
Dipole, Da:	8.82
IP(EA), eV:	-8.3(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C3=NN=C(C=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations