Geometry & MOs

Info

ID:	210978
PubChem CID:	80879846
Reduced:	F2N3O3H11C13 (1)
Stoich.:	A2B3C3D11E13 (1)
Weight, g/mol:	264.065868
ΔH_f, kcal/mol:	-78.1
Dipole, Da:	8.03
IP(EA), eV:	-9.49(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluoro-2-nitrophenoxy)-5-methylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=C(C=C1)[N+](=O)[O-])OC2=C(C=CC(=C2)F)F

DOS

IR

Vibrations