Geometry & MOs

Info

ID:	438712
PubChem CID:	135228463
Reduced:	FNO2C22H22 (1)
Stoich.:	ABC2D22E22 (1)
Weight, g/mol:	313.147807
ΔH_f, kcal/mol:	-84.79
Dipole, Da:	3.83
IP(EA), eV:	-8.84(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-fluoro-1,3-dihydroisoindol-2-yl)-(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methanone

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C2=C1/C(=C\F)/CC2)O)C(=O)N3CC4=CC=CC=C4C3

DOS

IR

Vibrations