Geometry & MOs

Info

ID:	343347
PubChem CID:	127266520
Reduced:	ClFON2C16H22 (1)
Stoich.:	ABCD2E16F22 (1)
Weight, g/mol:	276.163791
ΔH_f, kcal/mol:	-104.41
Dipole, Da:	3.15
IP(EA), eV:	-8.84(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CNC1)CCNC(=O)C=CC2=CC(=CC=C2)F.Cl

DOS

IR

Vibrations