Geometry & MOs

Info

ID:	289143
PubChem CID:	104337503
Reduced:	ON4C14H14 (1)
Stoich.:	AB4C14D14 (1)
Weight, g/mol:	289.15904
ΔH_f, kcal/mol:	55.2
Dipole, Da:	6.19
IP(EA), eV:	-9.33(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(ethoxymethyl)-6-(4-fluorophenyl)-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CNC1=NC(=NC(=C1)C2=CC=CC(=C2)C#N)COC

DOS

IR

Vibrations