Geometry & MOs

Info

ID:	254551
PubChem CID:	103126063
Reduced:	ClON2F3H6C10 (1)
Stoich.:	ABC2D3E6F10 (1)
Weight, g/mol:	189.090212
ΔH_f, kcal/mol:	-165.96
Dipole, Da:	4.44
IP(EA), eV:	-9.19(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-methylpyridin-4-yl)methyl]-1H-imidazol-2-one

Drug info:

PubChemData

Smile

C1=CN(C(=O)N1)C2=CC(=CC(=C2)C(F)(F)F)Cl

DOS

IR

Vibrations