Geometry & MOs

Info

ID:	121835
PubChem CID:	50783228
Reduced:	ON7C27H37 (1)
Stoich.:	AB7C27D37 (1)
Weight, g/mol:	464.209137
ΔH_f, kcal/mol:	48.1
Dipole, Da:	8.01
IP(EA), eV:	-8.75(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NN=C3N2N=C(C=C3)N4CCC(CC4)C(=O)NCCN(C)C5CCCCC5

DOS

IR

Vibrations