Geometry & MOs

Info

ID:	141631
PubChem CID:	52904885
Reduced:	BrNO3C10H12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	265.134088
ΔH_f, kcal/mol:	-123.7
Dipole, Da:	2.62
IP(EA), eV:	-8.74(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C(=O)NC1=C(C=C(C=C1)O)O)Br

DOS

IR

Vibrations