Geometry & MOs

Info

ID:	284467
PubChem CID:	104048069
Reduced:	O3N4C14H16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	264.065868
ΔH_f, kcal/mol:	2.38
Dipole, Da:	4.87
IP(EA), eV:	-8.97(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-4-(2-methyl-4-nitrophenoxy)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCNC1=NC=C(C(=N1)OC2=C(C=C(C=C2)[N+](=O)[O-])C)C

DOS

IR

Vibrations