Geometry & MOs

Info

ID:	205695
PubChem CID:	80137285
Reduced:	FON3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	259.148476
ΔH_f, kcal/mol:	-33.27
Dipole, Da:	3.52
IP(EA), eV:	-8.87(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluoro-3-methylphenyl)-5-methyl-N-propylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CCCNC1=NC=CC(=N1)C2=C(C=CC(=C2)F)OC

DOS

IR

Vibrations