Geometry & MOs

Info

ID:	71560
PubChem CID:	48415041
Reduced:	BrON2C15H17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	295.168462
ΔH_f, kcal/mol:	38.4
Dipole, Da:	3.69
IP(EA), eV:	-8.97(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-2-(1H-indol-3-yl)ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations