Geometry & MOs

Info

ID:	158741
PubChem CID:	56468252
Reduced:	BrFO2N5H13C16 (1)
Stoich.:	ABC2D5E13F16 (1)
Weight, g/mol:	363.20774
ΔH_f, kcal/mol:	-1.87
Dipole, Da:	7.78
IP(EA), eV:	-9.45(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-butylcyclopentyl)-1-(5-chloropyridin-2-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=C(C=CC(=C2)NC(=O)C3=C(C=CC(=C3)OC)Br)F

DOS

IR

Vibrations