Geometry & MOs

Info

ID:	293075
PubChem CID:	117373375
Reduced:	N2O3C13H16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	248.116092
ΔH_f, kcal/mol:	-111.88
Dipole, Da:	5.28
IP(EA), eV:	-9.1(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1CCN(C1=O)C2=CC=CC(=C2)C(=O)O

DOS

IR

Vibrations