Geometry & MOs

Info

ID:	150574
PubChem CID:	53790267
Reduced:	PSF3O6C13H18 (1)
Stoich.:	ABC3D6E13F18 (1)
Weight, g/mol:	173.120449
ΔH_f, kcal/mol:	-463.69
Dipole, Da:	5.76
IP(EA), eV:	-10.19(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6,7-trimethyl-3-methylidene-1H-isoindole

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(F)(F)F)S(=O)(=O)OCP(=O)(OC)OC(C)C

DOS

IR

Vibrations