Geometry & MOs

Info

ID:	305189
PubChem CID:	124767422
Reduced:	NO2H25C28 (1)
Stoich.:	AB2C25D28 (1)
Weight, g/mol:	407.188529
ΔH_f, kcal/mol:	-7.88
Dipole, Da:	2.31
IP(EA), eV:	-8.86(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,4R,7R,7aR)-2-(2,5-dimethylphenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2C(=O)[C@@H]3[C@@H](C=C[C@H]([C@H]3C2=O)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations