Geometry & MOs

Info

ID:	132092
PubChem CID:	51304722
Reduced:	OSF3N6C15H15 (1)
Stoich.:	ABC3D6E15F15 (1)
Weight, g/mol:	330.157957
ΔH_f, kcal/mol:	-50.07
Dipole, Da:	3.24
IP(EA), eV:	-9.64(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)N1C(=NN=N1)SC(C)C2=NC(=NO2)C3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations