Geometry & MOs

Info

ID:	210443
PubChem CID:	80808285
Reduced:	SN5C12H17 (1)
Stoich.:	AB5C12D17 (1)
Weight, g/mol:	299.120467
ΔH_f, kcal/mol:	57.81
Dipole, Da:	2.66
IP(EA), eV:	-8.52(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-methylamino]benzonitrile

Drug info:

PubChemData

Smile

CCCNC1=C(C(=NC=N1)NCC2=NC=CS2)C

DOS

IR

Vibrations