Geometry & MOs

Info

ID:	121836
PubChem CID:	50783351
Reduced:	ClON6C25H29 (1)
Stoich.:	ABC6D25E29 (1)
Weight, g/mol:	378.216809
ΔH_f, kcal/mol:	57.64
Dipole, Da:	8.08
IP(EA), eV:	-9.21(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(=CC1)CCNC(=O)C2CCN(CC2)C3=NN4C(=NN=C4C5=CC=CC=C5Cl)C=C3

DOS

IR

Vibrations