Geometry & MOs

Info

ID:

435717

PubChem CID:

135192240

Reduced:

O3H34C59 (1)

Stoich.:

A3B34C59 (1)

Weight, g/mol:

890.282095

ΔHf, kcal/mol:

147.74

Dipole, Da:

0.7

IP(EA), eV:

 -8.43(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[3,5-bis(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-12-oxapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C3=C(O1)C=C(C=C3)C4=CC(=CC(=C4)C5=CC6=CC=CC=C6C7=C5OC8=C7C9=CC=CC=C9C=C8)C1=CC2=CC=CC=C2C2=C1OC1=C2C2=CC=CC=C2C=C1

DOS

IR

Vibrations