Geometry & MOs

Info

ID:

382203

PubChem CID:

134973195

Reduced:

NO2C21H21 (1)

Stoich.:

AB2C21D21 (1)

Weight, g/mol:

582.251858

ΔHf, kcal/mol:

-26.07

Dipole, Da:

1.48

IP(EA), eV:

-8.21(-0.93)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

16,16,35,35-tetramethyl-13,32-dioxa-5,24-diazanonacyclo[20.16.0.03,20.04,17.06,15.07,12.023,36.025,34.026,31]octatriaconta-1(22),3(20),4(17),7,9,11,18,23(36),26,28,30,37-dodecaene-2,21-dione

Drug info:

PubChemData

Smile

COC(CNCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)OC

DOS

IR

Vibrations