Geometry & MOs

Info

ID:	21923
PubChem CID:	593899
Reduced:	BrFO2N4H10C12 (1)
Stoich.:	ABC2D4E10F12 (1)
Weight, g/mol:	339.99712
ΔH_f, kcal/mol:	-13.54
Dipole, Da:	3.1
IP(EA), eV:	-9.66(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(4-bromophenyl)diazenyl]-5-fluoro-1H-imidazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=N1)N=NC2=CC=C(C=C2)Br)F

DOS

IR

Vibrations