Geometry & MOs

Info

ID:	392916
PubChem CID:	135018439
Reduced:	NO2F3C18H18 (1)
Stoich.:	AB2C3D18E18 (1)
Weight, g/mol:	351.170868
ΔH_f, kcal/mol:	-164.22
Dipole, Da:	2.63
IP(EA), eV:	-8.81(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

tert-butyl N-[(1R)-2-(1-oxoisoindol-2-ium-2-yl)-1-phenylethyl]carbamate

Drug info:

PubChemData

Smile

CN1CCC2=C(CC2=CC1(C(=O)OC)C(F)(F)F)C3=CC=CC=C3

DOS

IR

Vibrations