Geometry & MOs

Info

ID:

308053

PubChem CID:

125316760

Reduced:

N3O5H29C30 (1)

Stoich.:

A3B5C29D30 (1)

Weight, g/mol:

511.210721

ΔHf, kcal/mol:

-71.61

Dipole, Da:

3.55

IP(EA), eV:

 -8.18(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@@H]2[C@H]3C(=C4C=CC=CC4=N3)C[C@H]5N2C(=O)CN(C5=O)CC6=CC(=CC=C6)OC)OC

DOS

IR

Vibrations