Geometry & MOs

Info

ID:	210084
PubChem CID:	80759953
Reduced:	BrFON5C12H13 (1)
Stoich.:	ABCD5E12F13 (1)
Weight, g/mol:	325.98147
ΔH_f, kcal/mol:	-15.57
Dipole, Da:	5.06
IP(EA), eV:	-9.05(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(4-bromo-2-fluorophenyl)-3-nitropyridine-2,6-diamine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)OC)NC2=C(C=C(C=C2)Br)F

DOS

IR

Vibrations