Geometry & MOs

Info

ID:	305188
PubChem CID:	124767420
Reduced:	O7C21H22 (1)
Stoich.:	A7B21C22 (1)
Weight, g/mol:	407.188529
ΔH_f, kcal/mol:	-272.39
Dipole, Da:	4.07
IP(EA), eV:	-9.82(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,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(=O)OC[C@H]2[C@@H]([C@H]([C@H](O2)O)O)OC(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations