Geometry & MOs

Info

ID:	289155
PubChem CID:	104337662
Reduced:	OSN4C12H12 (1)
Stoich.:	ABC4D12E12 (1)
Weight, g/mol:	273.15896
ΔH_f, kcal/mol:	48.23
Dipole, Da:	5.05
IP(EA), eV:	-9.73(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(ethoxymethyl)-N-propyl-6-pyrimidin-5-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCOCC1=NC(=CC(=N1)N)C2=CC=C(S2)C#N

DOS

IR

Vibrations