Geometry & MOs

Info

ID:	135906
PubChem CID:	51956026
Reduced:	ClO2F3N4H18C19 (1)
Stoich.:	AB2C3D4E18F19 (1)
Weight, g/mol:	400.166604
ΔH_f, kcal/mol:	-202.86
Dipole, Da:	9.13
IP(EA), eV:	-8.96(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(6-chloropyridazin-3-yl)-N-(3-cyclopentyloxyphenyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C2=C(C=CC=N2)C(F)(F)F)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N

DOS

IR

Vibrations