Geometry & MOs

Info

ID:	342327
PubChem CID:	127265108
Reduced:	ClON2C12H23 (1)
Stoich.:	ABC2D12E23 (1)
Weight, g/mol:	327.151368
ΔH_f, kcal/mol:	-97.69
Dipole, Da:	3.4
IP(EA), eV:	-9.3(0.46)
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;hydrochloride

Drug info:

PubChemData

Smile

CCC=C(C)C(=O)N1CCCCC1CN.Cl

DOS

IR

Vibrations