Geometry & MOs

Info

ID:

395733

PubChem CID:

135026388

Reduced:

O2N3C23H23 (1)

Stoich.:

A2B3C23D23 (1)

Weight, g/mol:

421.03049

ΔHf, kcal/mol:

8.82

Dipole, Da:

3.63

IP(EA), eV:

 -9.29(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

(1R,9S,12R)-3-(hydroxymethyl)-6,9-dimethyl-11-oxo-10-(2-oxoethyl)-8-oxa-5,10-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-12-carboxamide;yttrium

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@@H](C([C@@H](N1)C2=CC=C(C=C2)C)(C#N)C#N)C3=CC=C(C=C3)C

DOS

IR

Vibrations