Geometry & MOs

Info

ID:	383378
PubChem CID:	134975069
Reduced:	NO3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	296.165054
ΔH_f, kcal/mol:	-86.81
Dipole, Da:	2.78
IP(EA), eV:	-8.87(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(3R)-1-benzyl-2-oxo-3-propan-2-ylindol-3-yl]methyloxidanium

Drug info:

PubChemData

Smile

CC(C)[C@@]1(C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations