Geometry & MOs

Info

ID:	161011
PubChem CID:	57390520
Reduced:	FON7C24H26 (1)
Stoich.:	ABC7D24E26 (1)
Weight, g/mol:	324.140868
ΔH_f, kcal/mol:	30.6
Dipole, Da:	2.68
IP(EA), eV:	-8.33(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-cyclohexylsulfanyl-6-methylpyrimidin-2-yl)amino]benzonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC2=NC=C3C(=N2)N(C(=N3)NC4=CC=CC=C4F)C5CCC(CC5)N

DOS

IR

Vibrations