Geometry & MOs

Info

ID:	71559
PubChem CID:	48415039
Reduced:	ON3C20H25 (1)
Stoich.:	AB3C20D25 (1)
Weight, g/mol:	320.05243
ΔH_f, kcal/mol:	35.25
Dipole, Da:	2.57
IP(EA), eV:	-8.36(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromophenyl)-(4-but-3-ynylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCCC2=CNC3=CC=CC=C32

DOS

IR

Vibrations