Geometry & MOs

Info

ID:	136523
PubChem CID:	52056112
Reduced:	ClOF3N4H22C24 (1)
Stoich.:	ABC3D4E22F24 (1)
Weight, g/mol:	410.291986
ΔH_f, kcal/mol:	-120.87
Dipole, Da:	2.27
IP(EA), eV:	-8.8(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

diethyl-[2-[[1-[6-(4-ethylphenyl)pyridazin-3-yl]piperidine-4-carbonyl]amino]ethyl]azanium

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCC2=CC(=CC=C2)C(F)(F)F)C3=NN=C(C=C3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations