Geometry & MOs

Info

ID:

79917

PubChem CID:

49831311

Reduced:

O5C29H34 (1)

Stoich.:

A5B29C34 (1)

Weight, g/mol:

379.189592

ΔHf, kcal/mol:

-142.73

Dipole, Da:

3.63

IP(EA), eV:

 -8.66(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-8a-methoxy-3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-1,4-dione

Drug info:

PubChemData

Smile

C[C@]12CCCC([C@@H]1CC[C@@]3([C@]2(O3)C(=O)C4=CC5=C(C=C4OCC6=CC=CC=C6)OCO5)C)(C)C

DOS

IR

Vibrations