Geometry & MOs

Info

ID:	83677
PubChem CID:	49860011
Reduced:	BrN3C19H24 (1)
Stoich.:	AB3C19D24 (1)
Weight, g/mol:	404.12634
ΔH_f, kcal/mol:	49.09
Dipole, Da:	4.75
IP(EA), eV:	-9.3(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluoro-2-methylphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine;hydrobromide

Drug info:

PubChemData

Smile

C1CN(CCN1C[C@H]2C[C@@H]2C3=CC=CC=C3)C4=CN=CC=C4.Br

DOS

IR

Vibrations