Geometry & MOs

Info

ID:	234730
PubChem CID:	92303396
Reduced:	ClO4C21H25 (1)
Stoich.:	AB4C21D25 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-113.17
Dipole, Da:	1.41
IP(EA), eV:	-8.79(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-1-[4-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]ethylideneamino]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC(C)(C1=CC=C(C=C1)OC[C@@H]2CO2)C3=CC=C(C=C3)OC[C@H](CCl)O

DOS

IR

Vibrations