Geometry & MOs

Info

ID:	166066
PubChem CID:	74632338
Reduced:	NF3O3C22H22 (1)
Stoich.:	AB3C3D22E22 (1)
Weight, g/mol:	415.129884
ΔH_f, kcal/mol:	-258.71
Dipole, Da:	7.35
IP(EA), eV:	-9.44(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CN(C1CCCC2=CC=CC=C12)C(=O)COC(=O)CC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations