Geometry & MOs

Info

ID:	266929
PubChem CID:	103580112
Reduced:	BrClN3H11C12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	317.02944
ΔH_f, kcal/mol:	62.77
Dipole, Da:	2.33
IP(EA), eV:	-8.63(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=N1)C2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations