Geometry & MOs

Info

ID:	211055
PubChem CID:	80889070
Reduced:	OSN6C12H18 (1)
Stoich.:	ABC6D12E18 (1)
Weight, g/mol:	251.145619
ΔH_f, kcal/mol:	30.49
Dipole, Da:	1.64
IP(EA), eV:	-9.13(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-6-(3-methylcyclohexyl)sulfanylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)SC2=CC(=NN2C)C)OCC

DOS

IR

Vibrations