Geometry & MOs

Info

ID:	343346
PubChem CID:	127266519
Reduced:	FON2C14H17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	312.140469
ΔH_f, kcal/mol:	-64.26
Dipole, Da:	4.33
IP(EA), eV:	-9.03(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)prop-2-enamide;hydrochloride

Drug info:

PubChemData

Smile

C1CC(CNC1)NC(=O)C=CC2=CC(=CC=C2)F

DOS

IR

Vibrations