Geometry & MOs

Info

ID:	305045
PubChem CID:	124766460
Reduced:	NOC23H31 (1)
Stoich.:	ABC23D31 (1)
Weight, g/mol:	409.167794
ΔH_f, kcal/mol:	-32.39
Dipole, Da:	2.5
IP(EA), eV:	-9.06(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC1([C@@H]([C@@H](N[C@@H]([C@H]1C)C2=CC=CC=C2)C3=CC=CC=C3)C)O

DOS

IR

Vibrations