Geometry & MOs

Info

ID:	269466
PubChem CID:	103617596
Reduced:	ClN2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	356.05357
ΔH_f, kcal/mol:	-114.01
Dipole, Da:	5.59
IP(EA), eV:	-9.37(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(5-bromo-2-fluorobenzoyl)piperidin-4-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NCC1CCN(CC1)C(=O)C2=CC=C(O2)Cl

DOS

IR

Vibrations