Geometry & MOs

Info

ID:	305046
PubChem CID:	124766461
Reduced:	NO3H23C27 (1)
Stoich.:	AB3C23D27 (1)
Weight, g/mol:	409.167794
ΔH_f, kcal/mol:	-25.88
Dipole, Da:	2.29
IP(EA), eV:	-8.85(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2C(=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