Geometry & MOs

Info

ID:	210577
PubChem CID:	80824568
Reduced:	ON4C12H14 (1)
Stoich.:	AB4C12D14 (1)
Weight, g/mol:	262.122989
ΔH_f, kcal/mol:	12.23
Dipole, Da:	5.43
IP(EA), eV:	-8.65(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-4-N-(4-methoxy-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)NC2=NC=NC(=C2)N

DOS

IR

Vibrations