Geometry & MOs

Info

ID:	267832
PubChem CID:	103589713
Reduced:	BrO3N5C12H12 (1)
Stoich.:	AB3C5D12E12 (1)
Weight, g/mol:	354.99162
ΔH_f, kcal/mol:	38.67
Dipole, Da:	5.29
IP(EA), eV:	-9.63(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(3-bromo-5-nitrophenoxy)-5-methoxypyrimidin-4-yl]hydrazine

Drug info:

PubChemData

Smile

CCC1=C(N=CN=C1OC2=CC(=CC(=C2)[N+](=O)[O-])Br)NN

DOS

IR

Vibrations