Geometry & MOs

Info

ID:	267801
PubChem CID:	103589585
Reduced:	BrN2O4C11H13 (1)
Stoich.:	AB2C4D11E13 (1)
Weight, g/mol:	327.96073
ΔH_f, kcal/mol:	-49.98
Dipole, Da:	2.64
IP(EA), eV:	-9.64(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromo-5-nitrophenoxy)-5-fluoropyrimidin-2-amine

Drug info:

PubChemData

Smile

COC1C(CC1OC2=CC(=CC(=C2)[N+](=O)[O-])Br)N

DOS

IR

Vibrations