Geometry & MOs

Info

ID:	295690
PubChem CID:	117542490
Reduced:	BrN2O3C11H11 (1)
Stoich.:	AB2C3D11E11 (1)
Weight, g/mol:	248.116092
ΔH_f, kcal/mol:	-96.8
Dipole, Da:	5.0
IP(EA), eV:	-9.96(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(2,4-dimethylphenyl)-2-oxoimidazolidin-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1C(N(C(=O)N1)CC(=O)O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations