Geometry & MOs

Info

ID:	322233
PubChem CID:	126669308
Reduced:	O2N3H13C18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	277.095023
ΔH_f, kcal/mol:	28.54
Dipole, Da:	3.31
IP(EA), eV:	-9.01(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4-(4-carboxyphenyl)-5,5-dimethyl-2-oxopyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)N)N2C=NC3=C2C=C(C=C3)C4=COC=C4

DOS

IR

Vibrations