Geometry & MOs

Info

ID:	26918
PubChem CID:	804384
Reduced:	NO4C14H15 (1)
Stoich.:	AB4C14D15 (1)
Weight, g/mol:	261.100108
ΔH_f, kcal/mol:	-160.49
Dipole, Da:	8.26
IP(EA), eV:	-9.68(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3R)-3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CC[C@]1(CC(=O)N(C1=O)C2=CC=CC(=C2)C(=O)O)C

DOS

IR

Vibrations