Geometry & MOs

Info

ID:	211232
PubChem CID:	80916221
Reduced:	BrFN3O3H9C12 (1)
Stoich.:	ABC3D3E9F12 (1)
Weight, g/mol:	372.96719
ΔH_f, kcal/mol:	-10.57
Dipole, Da:	5.09
IP(EA), eV:	-9.43(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(4-iodophenoxy)-5-nitropyrimidin-4-yl]hydrazine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)F)OC2=CC(=CC(=C2)[N+](=O)[O-])NN

DOS

IR

Vibrations