Geometry & MOs

Info

ID:	130349
PubChem CID:	51075676
Reduced:	ClN2O2C9H9 (1)
Stoich.:	AB2C2D9E9 (1)
Weight, g/mol:	312.140469
ΔH_f, kcal/mol:	-24.07
Dipole, Da:	5.49
IP(EA), eV:	-9.77(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-fluoro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide

Drug info:

PubChemData

Smile

CN(CCC#N)C(=O)C1=CC=C(O1)Cl

DOS

IR

Vibrations