Geometry & MOs

Info

ID:	155104
PubChem CID:	56320691
Reduced:	ClN3O3C18H24 (1)
Stoich.:	AB3C3D18E24 (1)
Weight, g/mol:	399.232205
ΔH_f, kcal/mol:	-88.49
Dipole, Da:	7.43
IP(EA), eV:	-8.86(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(3-methoxy-4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1Cl)C(=O)NCCCC2=C(NN=C2)C)OC

DOS

IR

Vibrations