Geometry & MOs

Info

ID:	207823
PubChem CID:	80454400
Reduced:	ClNSO5C10H10 (1)
Stoich.:	ABCD5E10F10 (1)
Weight, g/mol:	249.054969
ΔH_f, kcal/mol:	-117.31
Dipole, Da:	3.06
IP(EA), eV:	-10.34(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-fluoro-2-nitrophenoxy)methyl]pyrimidine

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1OC2=CC(=C(C=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations