Geometry & MOs

Info

ID:	267533
PubChem CID:	103582648
Reduced:	BrClON2C9H10 (1)
Stoich.:	ABCD2E9F10 (1)
Weight, g/mol:	321.99061
ΔH_f, kcal/mol:	-3.71
Dipole, Da:	2.49
IP(EA), eV:	-9.03(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1(CO)NC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations