Geometry & MOs

Info

ID:

382959

PubChem CID:

134974410

Reduced:

CH (24)

Stoich.:

AB (24)

Weight, g/mol:

778.325416

ΔHf, kcal/mol:

70.56

Dipole, Da:

0.13

IP(EA), eV:

 -9.26(0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

38,40-dimethyl-2,20-diphenyl-8,11,14,26,29,32-hexaoxa-38,40-diazaheptacyclo[31.3.1.13,7.14,36.115,19.118,22.121,25]dotetraconta-1(36),3,5,7(42),15(41),16,18,21,23,25(39),33(37),34-dodecaene-2,20-diol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2C(C2CC3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations