Geometry & MOs

Info

ID:	438708
PubChem CID:	135228459
Reduced:	FNO3H20C21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	335.152144
ΔH_f, kcal/mol:	-132.81
Dipole, Da:	5.89
IP(EA), eV:	-9.11(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,3-dihydroisoindole-2-carbonyl)-4-hydroxy-7-propan-2-yl-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C2=C1C(=O)C(C2)F)O)C(=O)N3CC4=CC=CC=C4C3

DOS

IR

Vibrations