Geometry & MOs

Info

ID:	71768
PubChem CID:	48415355
Reduced:	FO2N4C18H19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	284.152478
ΔH_f, kcal/mol:	-34.82
Dipole, Da:	1.24
IP(EA), eV:	-9.02(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)F

DOS

IR

Vibrations