Geometry & MOs

Info

ID:	196091
PubChem CID:	78778603
Reduced:	ON2C15H18 (1)
Stoich.:	AB2C15D18 (1)
Weight, g/mol:	384.04848
ΔH_f, kcal/mol:	-20.05
Dipole, Da:	2.91
IP(EA), eV:	-8.61(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-fluorophenoxy)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCCC(C)C(=O)NC1=CC=CC2=C1N=CC=C2

DOS

IR

Vibrations