Geometry & MOs

Info

ID:	71498
PubChem CID:	48414960
Reduced:	N2O3C20H26 (1)
Stoich.:	A2B3C20D26 (1)
Weight, g/mol:	346.168128
ΔH_f, kcal/mol:	-54.91
Dipole, Da:	4.77
IP(EA), eV:	-8.75(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(3-methylbenzo[g][1]benzofuran-2-yl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)OCC3CCCO3

DOS

IR

Vibrations