Geometry & MOs

Info

ID:	210823
PubChem CID:	80858354
Reduced:	ON3C16H27 (1)
Stoich.:	AB3C16D27 (1)
Weight, g/mol:	253.15904
ΔH_f, kcal/mol:	-59.22
Dipole, Da:	1.66
IP(EA), eV:	-8.76(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-ethylcyclohexyl)oxy-5-fluoro-N-methylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CCCNC1=NC(=CC(=N1)OC2CCCCC2CC)C

DOS

IR

Vibrations