Geometry & MOs

Info

ID:	342321
PubChem CID:	127265098
Reduced:	ClFON2C17H24 (1)
Stoich.:	ABCD2E17F24 (1)
Weight, g/mol:	262.148141
ΔH_f, kcal/mol:	-114.46
Dipole, Da:	3.54
IP(EA), eV:	-9.15(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluorophenyl)-N-(piperidin-4-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(=CC(=O)N1CCCC(C1)CNC)C2=CC(=CC=C2)F.Cl

DOS

IR

Vibrations