Geometry & MOs

Info

ID:	342328
PubChem CID:	127265109
Reduced:	ClFON3C16H23 (1)
Stoich.:	ABCD3E16F23 (1)
Weight, g/mol:	291.174691
ΔH_f, kcal/mol:	-93.12
Dipole, Da:	5.29
IP(EA), eV:	-8.63(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]-2-methylbut-2-enamide

Drug info:

PubChemData

Smile

CC=C(C)C(=O)NCC1=CC(=C(C=C1)N2CCNCC2)F.Cl

DOS

IR

Vibrations