Geometry & MOs

Info

ID:	230140
PubChem CID:	87570291
Reduced:	OC11H21 (2)
Stoich.:	AB11C21 (2)
Weight, g/mol:	478.088275
ΔH_f, kcal/mol:	-169.46
Dipole, Da:	5.67
IP(EA), eV:	-10.34(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-oxo-N-(4,4,4-trifluorobutyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-1H-isoindole-1-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCC(CC)C/C=C(\C)/C(=O)O

DOS

IR

Vibrations