Geometry & MOs

Info

ID:	170795
PubChem CID:	75281323
Reduced:	FN3O4C26H26 (1)
Stoich.:	AB3C4D26E26 (1)
Weight, g/mol:	473.21147
ΔH_f, kcal/mol:	-84.27
Dipole, Da:	3.56
IP(EA), eV:	-8.75(-0.75)
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-phenylprop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2F)C(CNC(=O)C=CC3=CC=CO3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations