Geometry & MOs

Info

ID:	170796
PubChem CID:	75281324
Reduced:	FN3O3C28H28 (1)
Stoich.:	AB3C3D28E28 (1)
Weight, g/mol:	479.167891
ΔH_f, kcal/mol:	-52.6
Dipole, Da:	3.89
IP(EA), eV:	-8.72(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,3-benzodioxol-5-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-thiophen-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2F)C(CNC(=O)C=CC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations