Geometry & MOs

Info

ID:

320123

PubChem CID:

126658343

Reduced:

O6N9C51H59 (1)

Stoich.:

A6B9C51D59 (1)

Weight, g/mol:

486.226705

ΔHf, kcal/mol:

-153.3

Dipole, Da:

4.47

IP(EA), eV:

 -8.45(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[7-[[4-[(4-butylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)N4C=CC(=C4C5=CC=C(C=C5)C(C)(C)C)C6=CC=C(C=C6)C7=CN=C(N7)[C@@H]8CCCN8C(=O)CNC(=O)OC)NC(=O)OC

DOS

IR

Vibrations