Geometry & MOs

Info

ID:	266973
PubChem CID:	103580273
Reduced:	BrClON2C10H14 (1)
Stoich.:	ABCD2E10F14 (1)
Weight, g/mol:	323.96987
ΔH_f, kcal/mol:	-27.16
Dipole, Da:	2.04
IP(EA), eV:	-9.01(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-bromo-3-chloropyridin-2-yl)amino]-2-methylsulfanylbutan-1-ol

Drug info:

PubChemData

Smile

CCCN(CCO)C1=C(C=C(C=N1)Br)Cl

DOS

IR

Vibrations