Geometry & MOs

Info

ID:	267568
PubChem CID:	103582735
Reduced:	BrClN3C11H15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	372.03525
ΔH_f, kcal/mol:	8.81
Dipole, Da:	3.78
IP(EA), eV:	-8.78(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-bromo-3-chloropyridin-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone

Drug info:

PubChemData

Smile

C1CCC(C(C1)N)NC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations