Geometry & MOs

Info

ID:	68811
PubChem CID:	46509138
Reduced:	BrN2O3C23H25 (1)
Stoich.:	AB2C3D23E25 (1)
Weight, g/mol:	451.129884
ΔH_f, kcal/mol:	-106.86
Dipole, Da:	5.64
IP(EA), eV:	-8.82(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorobenzoyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)NC4=CC(=CC=C4)NC(=O)C5=CC=CO5

DOS

IR

Vibrations