Geometry & MOs

Info

ID:	71669
PubChem CID:	48415178
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	282.136828
ΔH_f, kcal/mol:	18.59
Dipole, Da:	2.85
IP(EA), eV:	-9.1(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations