Geometry & MOs

Info

ID:	83598
PubChem CID:	49858536
Reduced:	OC8H8 (3)
Stoich.:	AB8C8 (3)
Weight, g/mol:	339.163457
ΔH_f, kcal/mol:	-17.66
Dipole, Da:	3.29
IP(EA), eV:	-8.67(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC12CC(C(CC1=O)C=CC3=CC=CO3)(C(=C2)C=CC=CC4=CC=CO4)C

DOS

IR

Vibrations