Geometry & MOs

Info

ID:	250562
PubChem CID:	103097529
Reduced:	N3O3C13H13 (1)
Stoich.:	A3B3C13D13 (1)
Weight, g/mol:	259.075705
ΔH_f, kcal/mol:	-30.39
Dipole, Da:	3.44
IP(EA), eV:	-8.61(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluorophenyl)-7-methylimidazo[1,2-a]imidazole-6-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C=C(N=C2N1C)C3=COC=C3

DOS

IR

Vibrations