Geometry & MOs

Info

ID:	355882
PubChem CID:	127290734
Reduced:	NO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	308.119464
ΔH_f, kcal/mol:	-73.88
Dipole, Da:	3.31
IP(EA), eV:	-9.15(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-dihydroisoindol-2-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone

Drug info:

PubChemData

Smile

C1CCC(C1)(C(=O)N2CC3=CC=CC=C3C2)O

DOS

IR

Vibrations