Geometry & MOs

Info

ID:	134078
PubChem CID:	51638165
Reduced:	NOC11H13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	398.145342
ΔH_f, kcal/mol:	-30.84
Dipole, Da:	4.67
IP(EA), eV:	-9.58(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

C1CNC(=O)C[C@@H]1C2=CC=CC=C2

DOS

IR

Vibrations