Geometry & MOs

Info

ID:	71552
PubChem CID:	48415030
Reduced:	BrClN2O2C16H18 (1)
Stoich.:	ABC2D2E16F18 (1)
Weight, g/mol:	368.05357
ΔH_f, kcal/mol:	-6.11
Dipole, Da:	1.82
IP(EA), eV:	-9.02(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations