Geometry & MOs

Info

ID:	431201
PubChem CID:	135171271
Reduced:	OSF4N4C16H18 (1)
Stoich.:	ABC4D4E16F18 (1)
Weight, g/mol:	468.227374
ΔH_f, kcal/mol:	-197.38
Dipole, Da:	4.17
IP(EA), eV:	-8.3(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(3-cyanophenoxy)piperidin-1-yl]-5-methyl-N-(5,6,7,8-tetrahydroquinolin-6-yl)pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CC(C1)N(CC(F)(F)F)C(=O)C2=CC3=C(N2SF)C=CC=N3)N

DOS

IR

Vibrations