Geometry & MOs

Info

ID:	310017
PubChem CID:	126572854
Reduced:	FN3O4C22H22 (1)
Stoich.:	AB3C4D22E22 (1)
Weight, g/mol:	330.137971
ΔH_f, kcal/mol:	-95.02
Dipole, Da:	4.51
IP(EA), eV:	-9.03(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5,5-dimethylcyclopenten-1-yl)-1-(2-fluoro-5-methoxyphenyl)imidazole-4-carboxylic acid

Drug info:

PubChemData

Smile

COC1=NC=C(C(=C1)N2C=C(C=N2)COC3=CC=CC(=C3)CC(C4CC4)C(=O)O)F

DOS

IR

Vibrations