Geometry & MOs

Info

ID:	371714
PubChem CID:	131270943
Reduced:	SN4C7H8 (1)
Stoich.:	AB4C7D8 (1)
Weight, g/mol:	180.046967
ΔH_f, kcal/mol:	79.91
Dipole, Da:	3.39
IP(EA), eV:	-9.44(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(2-methylsulfanylpyrimidin-4-yl)acetonitrile

Drug info:

PubChemData

Smile

C1=C(NN=C1)C2=C(C=NS2)CN

DOS

IR

Vibrations