Geometry & MOs

Info

ID:	372593
PubChem CID:	131300442
Reduced:	INO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	217.071448
ΔH_f, kcal/mol:	-53.45
Dipole, Da:	5.74
IP(EA), eV:	-9.65(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-5-methoxy-1-(trifluoromethyl)-2,3-dihydro-1H-isoindole

Drug info:

PubChemData

Smile

C1C[C@H](C2=C(C1)C=CC(=C2I)C(=O)O)N

DOS

IR

Vibrations