Geometry & MOs

Info

ID:	438710
PubChem CID:	135228461
Reduced:	NF2O2H21C22 (1)
Stoich.:	AB2C2D21E22 (1)
Weight, g/mol:	403.139528
ΔH_f, kcal/mol:	-130.75
Dipole, Da:	3.98
IP(EA), eV:	-8.91(-0.92)
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-(trifluoromethyl)-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C2=C1C(=C(F)F)CC2)O)C(=O)N3CC4=CC=CC=C4C3

DOS

IR

Vibrations