Geometry & MOs

Info

ID:	342323
PubChem CID:	127265104
Reduced:	ClFON2C16H22 (1)
Stoich.:	ABCD2E16F22 (1)
Weight, g/mol:	276.163791
ΔH_f, kcal/mol:	-115.58
Dipole, Da:	6.93
IP(EA), eV:	-9.29(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=CC1=CC=C(C=C1)F)C(=O)NCC2CCCNC2.Cl

DOS

IR

Vibrations