Geometry & MOs

Info

ID:	210832
PubChem CID:	80859248
Reduced:	ClO2N4C9H15 (1)
Stoich.:	AB2C4D9E15 (1)
Weight, g/mol:	207.137162
ΔH_f, kcal/mol:	-46.91
Dipole, Da:	3.61
IP(EA), eV:	-9.72(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylcyclohexyl)oxypyrimidin-2-amine

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=N1)Cl)OCCOC

DOS

IR

Vibrations