Geometry & MOs

Info

ID:	136518
PubChem CID:	52055747
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	426.218639
ΔH_f, kcal/mol:	-69.6
Dipole, Da:	2.6
IP(EA), eV:	-8.4(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-cyclooctylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(C=C2)N3CCC(CC3)C(=O)NCC(OC)OC

DOS

IR

Vibrations