Geometry & MOs

Info

ID:	254341
PubChem CID:	103124482
Reduced:	FON3H10C14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	230.069142
ΔH_f, kcal/mol:	13.2
Dipole, Da:	2.57
IP(EA), eV:	-9.74(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-(2-oxo-1H-imidazol-3-yl)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations