Geometry & MOs

Info

ID:	266970
PubChem CID:	103580265
Reduced:	BrClN2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	307.97496
ΔH_f, kcal/mol:	29.47
Dipole, Da:	2.52
IP(EA), eV:	-8.76(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine

Drug info:

PubChemData

Smile

C1CC(CC=C1)NC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations