Geometry & MOs

Info

ID:	374256
PubChem CID:	131325875
Reduced:	BrClSO3H6C10 (1)
Stoich.:	ABCD3E6F10 (1)
Weight, g/mol:	211.085795
ΔH_f, kcal/mol:	-88.72
Dipole, Da:	3.83
IP(EA), eV:	-9.47(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methylpyridin-4-yl)amino]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

C1=C(C=C(C2=C1C(=CS2)Cl)C(C(=O)O)O)Br

DOS

IR

Vibrations