Geometry & MOs

Info

ID:	130100
PubChem CID:	51074927
Reduced:	FN2O2C16H23 (1)
Stoich.:	AB2C2D16E23 (1)
Weight, g/mol:	286.168128
ΔH_f, kcal/mol:	-117.87
Dipole, Da:	3.55
IP(EA), eV:	-8.72(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-ethylpiperazin-1-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=O)CCC2=CC(=C(C=C2)OC)F

DOS

IR

Vibrations