Geometry & MOs

Info

ID:	203405
PubChem CID:	79827059
Reduced:	BrON3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	233.073517
ΔH_f, kcal/mol:	19.76
Dipole, Da:	3.99
IP(EA), eV:	-8.83(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5-methylpyrimidin-2-yl)sulfanylpyridine-2,3-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC2=NC(=C(C=C2)N)N)Br

DOS

IR

Vibrations