Geometry & MOs

Info

ID:

312883

PubChem CID:

126609478

Reduced:

NO3C11H11 (5)

Stoich.:

AB3C11D11 (5)

Weight, g/mol:

367.189592

ΔHf, kcal/mol:

-479.13

Dipole, Da:

12.17

IP(EA), eV:

 -8.33(-1.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(E)-[1-(5-cyano-1,2-dimethylindol-3-yl)-1-oxooctan-2-ylidene]amino] acetate

Drug info:

PubChemData

Smile

CCNC(=O)C1=NN/C(=C\2/C=C(C(=CC2=O)O)C(C)C)/N1C3=CC=C(C=C3)CC4=CC=C(C=C4)C(=O)NC5CC(OC(C5O)C)O[C@H]6C[C@@](CC7=C6C(=C8C(=C7O)C(=O)C9=C(C8=O)C(=CC=C9)OC)O)(C(=O)CO)O

DOS

IR

Vibrations