Geometry & MOs

Info

ID:	244074
PubChem CID:	99309622
Reduced:	ClN3O3C25H26 (1)
Stoich.:	AB3C3D25E26 (1)
Weight, g/mol:	419.141197
ΔH_f, kcal/mol:	-64.59
Dipole, Da:	5.01
IP(EA), eV:	-8.56(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-4-fluorophenoxy)-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2)C(=O)CCNC(=O)COC3=CC=C(C4=CC=CC=C43)Cl

DOS

IR

Vibrations