Geometry & MOs

Info

ID:	83607
PubChem CID:	49858767
Reduced:	O7H22C27 (1)
Stoich.:	A7B22C27 (1)
Weight, g/mol:	295.120843
ΔH_f, kcal/mol:	-195.07
Dipole, Da:	3.53
IP(EA), eV:	-8.39(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,3'R)-6'-methoxy-3'-methylspiro[1H-indole-3,1'-3,4-dihydroisochromene]-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@]23CC4=CC(=C(C=C4[C@H](O2)C5=C(O3)C6=CC=CC=C6OC5=O)OC)OC

DOS

IR

Vibrations