Geometry & MOs

Info

ID:

51764

PubChem CID:

12014497

Reduced:

H34C43 (1)

Stoich.:

A34B43 (1)

Weight, g/mol:

586.235539

ΔHf, kcal/mol:

187.43

Dipole, Da:

0.27

IP(EA), eV:

 -9.05(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,18-dimethyl-7,14,22,29,32,39-hexaoxapentacyclo[14.14.10.234,37.05,31.020,40]dotetraconta-1(31),2,4,16,18,20(40),34(42),35,37(41)-nonaen-9,11,24,26-tetrayne

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=C[C@@H]2[C@@H](C2(C3=CC=CC=C3)C4=CC=CC=C4)C=C(C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations