Geometry & MOs

Info

ID:

49426

PubChem CID:

11533007

Reduced:

NO8C25H33 (1)

Stoich.:

AB8C25D33 (1)

Weight, g/mol:

475.248249

ΔHf, kcal/mol:

-339.12

Dipole, Da:

4.63

IP(EA), eV:

 -8.55(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3a,4,4a,7a,8,8a-hexahydro-[1,3]dioxolo[4,5-f]isoindole-5,7-dione

Drug info:

PubChemData

Smile

CCN/C=C\1/C2=C(C(=O)C3=C([C@]2([C@H](OC1=O)COC)C)[C@@H](C[C@]4(C3CC[C@@H]4O)C)OC(=O)C)O

DOS

IR

Vibrations