Geometry & MOs

Info

ID:	83619
PubChem CID:	49859107
Reduced:	NO3H21C22 (1)
Stoich.:	AB3C21D22 (1)
Weight, g/mol:	231.125929
ΔH_f, kcal/mol:	-59.91
Dipole, Da:	3.53
IP(EA), eV:	-8.94(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4'S,6'R)-4',6'-dimethylspiro[1H-indole-3,2'-oxane]-2-one

Drug info:

PubChemData

Smile

C1CC2=C(C1)[C@]3(C4=CC=CC=C4NC3=O)O[C@@H](C2)COC5=CC=CC=C5

DOS

IR

Vibrations