Geometry & MOs

Info

ID:	266962
PubChem CID:	103580220
Reduced:	BrClN2H10C13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	316.93891
ΔH_f, kcal/mol:	59.17
Dipole, Da:	3.15
IP(EA), eV:	-8.53(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2CN1C3=C(C=C(C=N3)Br)Cl

DOS

IR

Vibrations