Geometry & MOs

Info

ID:	297150
PubChem CID:	117610555
Reduced:	Cl2N3O3C16H19 (1)
Stoich.:	A2B3C3D16E19 (1)
Weight, g/mol:	417.125547
ΔH_f, kcal/mol:	-103.74
Dipole, Da:	2.71
IP(EA), eV:	-8.92(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-[4-chloro-5-(4-fluorophenyl)-2-hydroxyanilino]acetyl]piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C=CC(=O)N1CCN(CC1)C(=O)CNC2=CC(=C(C=C2CO)Cl)Cl

DOS

IR

Vibrations