Geometry & MOs

Info

ID:

308272

PubChem CID:

125325247

Reduced:

NO9C29H35 (1)

Stoich.:

AB9C29D35 (1)

Weight, g/mol:

463.210721

ΔHf, kcal/mol:

-368.69

Dipole, Da:

3.48

IP(EA), eV:

 -9.72(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,8R)-2-(3,4-dimethoxyphenyl)-6-(3-methoxypropyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-10,12,14,16-tetraene-4,7-dione

Drug info:

PubChemData

Smile

CC1(OC[C@@H](O1)[C@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OC(=O)[C@@H](CC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5)C

DOS

IR

Vibrations