Geometry & MOs

Info

ID:	438711
PubChem CID:	135228462
Reduced:	NF3O3H20C22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	351.163457
ΔH_f, kcal/mol:	-249.54
Dipole, Da:	6.14
IP(EA), eV:	-9.23(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dihydroisoindol-2-yl-[(1Z)-1-(fluoromethylidene)-4-hydroxy-7-propan-2-yl-2,3-dihydroinden-5-yl]methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations