Geometry & MOs

Info

ID:	210584
PubChem CID:	80826250
Reduced:	ON4C12H20 (1)
Stoich.:	AB4C12D20 (1)
Weight, g/mol:	282.151433
ΔH_f, kcal/mol:	-37.5
Dipole, Da:	3.01
IP(EA), eV:	-8.62(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N)N2CCCC2CCCO

DOS

IR

Vibrations