Geometry & MOs

Info

ID:	284375
PubChem CID:	104046194
Reduced:	O3N4C13H22 (1)
Stoich.:	A3B4C13D22 (1)
Weight, g/mol:	293.210327
ΔH_f, kcal/mol:	-117.1
Dipole, Da:	5.01
IP(EA), eV:	-9.89(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,6-dimethyloxan-4-yl)oxy-N-ethyl-2-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1CC(CC(O1)C)OC2=NC(=NC(=N2)N)OC(C)C

DOS

IR

Vibrations