Geometry & MOs

Info

ID:	267807
PubChem CID:	103589666
Reduced:	BrO3N4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	338.00145
ΔH_f, kcal/mol:	13.99
Dipole, Da:	7.32
IP(EA), eV:	-9.59(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-bromo-5-nitrophenoxy)-5-ethylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCC1=C(N=CN=C1OC2=CC(=CC(=C2)[N+](=O)[O-])Br)N

DOS

IR

Vibrations