Geometry & MOs

Info

ID:	405684
PubChem CID:	135074998
Reduced:	ClN2O3H27C28 (1)
Stoich.:	AB2C3D27E28 (1)
Weight, g/mol:	220.073559
ΔH_f, kcal/mol:	-34.79
Dipole, Da:	2.92
IP(EA), eV:	-8.43(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-oxo-2-phenyloxolane-3-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)OC/C=C/CN(CC1=CC=CC=C1)CC2=C3C(=CC=C2)NC=C3C4=CC=C(C=C4)Cl

DOS

IR

Vibrations