Geometry & MOs

Info

ID:	289145
PubChem CID:	104337518
Reduced:	FON3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	275.14339
ΔH_f, kcal/mol:	-24.98
Dipole, Da:	3.29
IP(EA), eV:	-9.21(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(ethoxymethyl)-6-(4-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CNC1=NC(=NC(=C1)C2=CC=C(C=C2)F)COC

DOS

IR

Vibrations