Geometry & MOs

Info

ID:	210054
PubChem CID:	80754493
Reduced:	OF2N4C12H12 (1)
Stoich.:	AB2C4D12E12 (1)
Weight, g/mol:	246.128075
ΔH_f, kcal/mol:	-94.74
Dipole, Da:	4.89
IP(EA), eV:	-8.7(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-4-N-(2-fluoro-5-methylphenyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)OC(F)F)N

DOS

IR

Vibrations