Geometry & MOs

Info

ID:	71553
PubChem CID:	48415031
Reduced:	BrFN2O2C16H18 (1)
Stoich.:	ABC2D2E16F18 (1)
Weight, g/mol:	368.05357
ΔH_f, kcal/mol:	-43.08
Dipole, Da:	1.95
IP(EA), eV:	-8.96(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-fluorophenoxy)-1-(4-but-3-ynylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)COC2=C(C=C(C=C2)F)Br

DOS

IR

Vibrations