Geometry & MOs

Info

ID:

395519

PubChem CID:

135025694

Reduced:

NO2C17H17 (1)

Stoich.:

AB2C17D17 (1)

Weight, g/mol:

768.321835

ΔHf, kcal/mol:

-23.4

Dipole, Da:

5.2

IP(EA), eV:

 -8.2(0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

17,19-diphenoxy-3,33-diphenyl-16,18,20-trioxa-17,19-diboraheptacyclo[19.12.0.02,15.05,14.08,13.022,31.023,28]tritriaconta-1(33),2,4,6,8(13),14,21,23(28),29,31-decaene

Drug info:

PubChemData

Smile

CC1C(C(=O)N1C2=CC=C(C=C2)OC)C3=CC=CC=C3

DOS

IR

Vibrations