Geometry & MOs

Info

ID:	266989
PubChem CID:	103580323
Reduced:	BrClN3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	321.99061
ΔH_f, kcal/mol:	27.99
Dipole, Da:	4.67
IP(EA), eV:	-8.36(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2CCC1CN(CC2)C3=C(C=C(C=N3)Br)Cl

DOS

IR

Vibrations