Geometry & MOs

Info

ID:	79176
PubChem CID:	49747229
Reduced:	FN4O4H23C24 (1)
Stoich.:	AB4C4D23E24 (1)
Weight, g/mol:	464.185983
ΔH_f, kcal/mol:	-43.12
Dipole, Da:	3.84
IP(EA), eV:	-8.4(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-3-(4-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)F)C(CNC(=O)C3=NOC(=C3)C4=CC=CO4)C5=CC=CO5

DOS

IR

Vibrations