Geometry & MOs

Info

ID:	71706
PubChem CID:	48415240
Reduced:	ON2C18H24 (1)
Stoich.:	AB2C18D24 (1)
Weight, g/mol:	338.043
ΔH_f, kcal/mol:	17.47
Dipole, Da:	3.02
IP(EA), eV:	-8.82(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-5-fluorophenyl)-(4-but-3-ynylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCCC2=CC=CC=C2

DOS

IR

Vibrations