Geometry & MOs

Info

ID:

46619

PubChem CID:

10525666

Reduced:

NO7H21C22 (1)

Stoich.:

AB7C21D22 (1)

Weight, g/mol:

411.158292

ΔHf, kcal/mol:

-203.22

Dipole, Da:

1.76

IP(EA), eV:

 -8.66(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[2-(dimethylamino)ethyl]-4-oxa-14,18-diazahexacyclo[15.7.0.02,6.07,15.08,13.019,24]tetracosa-1(17),2(6),7(15),8,10,12,19,21,23-nonaene-3,5-dione

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)[C@@H]2C3=CC4=C(C=C3C(=O)[C@@H]5N2C(=O)CC5)OCO4

DOS

IR

Vibrations