Geometry & MOs

Info

ID:	266984
PubChem CID:	103580299
Reduced:	BrClN2C10H12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	319.97496
ΔH_f, kcal/mol:	34.49
Dipole, Da:	3.31
IP(EA), eV:	-8.47(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-(2-methylsulfanylcyclopentyl)pyridin-2-amine

Drug info:

PubChemData

Smile

CN(C1CCC1)C2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations