Geometry & MOs

Info

ID:

306964

PubChem CID:

125264456

Reduced:

N4O4C21H26 (1)

Stoich.:

A4B4C21D26 (1)

Weight, g/mol:

398.195405

ΔHf, kcal/mol:

-60.89

Dipole, Da:

9.32

IP(EA), eV:

 -8.82(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E,5S)-1-[2-(dimethylamino)ethyl]-4-[[(3S)-3,5-dimethyl-3H-pyrazol-4-yl]-hydroxymethylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

C[C@H]1C(=C(N=N1)C)/C(=C\2/[C@H](N(C(=O)C2=O)CCN(C)C)C3=CC=CC=C3OC)/O

DOS

IR

Vibrations