Geometry & MOs

Info

ID:	373602
PubChem CID:	131317741
Reduced:	BrClNF2O2C9H9 (1)
Stoich.:	ABCD2E2F9G9 (1)
Weight, g/mol:	283.06841
ΔH_f, kcal/mol:	-178.42
Dipole, Da:	2.38
IP(EA), eV:	-9.6(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-1-(5-bromopyridin-2-yl)propyl]piperazine

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1[C@H](C(CO)(F)F)N)O)Br)Cl

DOS

IR

Vibrations