Geometry & MOs

Info

ID:	141121
PubChem CID:	52820836
Reduced:	BrFN2O2C19H20 (1)
Stoich.:	ABC2D2E19F20 (1)
Weight, g/mol:	409.1001
ΔH_f, kcal/mol:	-84.68
Dipole, Da:	5.15
IP(EA), eV:	-9.03(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetylpiperazin-1-yl)-2-[(2R)-2-(3-bromophenyl)morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

C1CO[C@H](CN1CCC(=O)NC2=CC=C(C=C2)F)C3=CC(=CC=C3)Br

DOS

IR

Vibrations