Geometry & MOs

Info

ID:	289299
PubChem CID:	104344411
Reduced:	N3O3C12H19 (1)
Stoich.:	A3B3C12D19 (1)
Weight, g/mol:	291.104148
ΔH_f, kcal/mol:	-105.49
Dipole, Da:	4.24
IP(EA), eV:	-9.54(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methoxymethyl)-N-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine

Drug info:

PubChemData

Smile

COCC1=NC(=CC(=N1)OCC2CCOCC2)N

DOS

IR

Vibrations