Geometry & MOs

Info

ID:	27662
PubChem CID:	822902
Reduced:	N5H15C17 (1)
Stoich.:	A5B15C17 (1)
Weight, g/mol:	261.055656
ΔH_f, kcal/mol:	130.81
Dipole, Da:	9.47
IP(EA), eV:	-8.6(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7aS)-5-chloro-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=CN2)C3=NN=NN3C4=CC=CC=C4)C

DOS

IR

Vibrations