Geometry & MOs

Info

ID:	293074
PubChem CID:	117373367
Reduced:	O2C7H8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	248.116092
ΔH_f, kcal/mol:	-159.94
Dipole, Da:	2.64
IP(EA), eV:	-8.49(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)benzoic acid

Drug info:

PubChemData

Smile

CC(=O)C1=C2CCCOC2=C(C3=C1OCCC3)O

DOS

IR

Vibrations