Geometry & MOs

Info

ID:	250572
PubChem CID:	103097593
Reduced:	F2O2N3H9C13 (1)
Stoich.:	A2B2C3D9E13 (1)
Weight, g/mol:	336.98622
ΔH_f, kcal/mol:	-82.48
Dipole, Da:	0.92
IP(EA), eV:	-9.36(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-2-fluorophenyl)-7-methylimidazo[1,2-a]imidazole-6-carboxylic acid

Drug info:

PubChemData

Smile

CN1C(=CN2C1=NC(=C2)C3=CC(=CC(=C3)F)F)C(=O)O

DOS

IR

Vibrations