Geometry & MOs

Info

ID:	267625
PubChem CID:	103583035
Reduced:	BrClN2O2H12C14 (1)
Stoich.:	ABC2D2E12F14 (1)
Weight, g/mol:	327.94366
ΔH_f, kcal/mol:	-21.67
Dipole, Da:	3.49
IP(EA), eV:	-8.43(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)NC3=C(C=C(C=N3)Br)Cl)OC1

DOS

IR

Vibrations