Geometry & MOs

Info

ID:	174443
PubChem CID:	75764678
Reduced:	O3N4H13C16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	350.094094
ΔH_f, kcal/mol:	42.88
Dipole, Da:	3.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.340572
Charge, e:	-1

Chem-info

IUPAC name:

4-[3-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C(=CC1=CC=CO1)C2=NN=C([N-]2)C3=CN=CC=C3

DOS

IR

Vibrations