Geometry & MOs

Info

ID:

46741

PubChem CID:

10526826

Reduced:

O4H22C29 (1)

Stoich.:

A4B22C29 (1)

Weight, g/mol:

434.13068

ΔHf, kcal/mol:

-61.37

Dipole, Da:

3.39

IP(EA), eV:

 -8.39(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-17,20-dioxanonacyclo[19.11.1.14,16.02,30.03,7.05,14.06,11.023,32.026,31]tetratriaconta-1(32),2,4,6(11),7,9,12,14,16(34),21(33),22,24,26(31),27,29-pentadecaene

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)OC2=C(C3=CC=CC=C3C=C2)C4=CC=CC5=C4C(=CC=C5)O

DOS

IR

Vibrations