Geometry & MOs

Info

ID:

325011

PubChem CID:

126679224

Reduced:

ON2H28C44 (1)

Stoich.:

AB2C28D44 (1)

Weight, g/mol:

590.199428

ΔHf, kcal/mol:

171.85

Dipole, Da:

2.16

IP(EA), eV:

 -7.84(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-cyclohexa-1,5-dien-1-yl-24-dibenzofuran-2-yl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C4C(C=C3)C5=CC=CC=C5O4)C6=C2C7=C(C=C6)N(C8=CC=CC=C87)C9=C1C=CC=CC1=CC1=CC=CC=C19

DOS

IR

Vibrations