Geometry & MOs

Info

ID:	210958
PubChem CID:	80876866
Reduced:	O2N3C11H19 (1)
Stoich.:	A2B3C11D19 (1)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	-64.57
Dipole, Da:	2.54
IP(EA), eV:	-8.87(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-methoxycyclohexyl)oxy-N,5-dimethylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCOCCOC1=NC(=NC=C1)NCC

DOS

IR

Vibrations