Geometry & MOs

Info

ID:	141632
PubChem CID:	52905036
Reduced:	ON2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	264.126263
ΔH_f, kcal/mol:	26.51
Dipole, Da:	2.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.828948
Charge, e:	0

Chem-info

IUPAC name:

(2'S,3S)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one

Drug info:

PubChemData

Smile

C1C[NH2+][C@H]([C@@]12C3=CC=CC=C3NC2=O)C4=CC=CC=C4

DOS

IR

Vibrations