Geometry & MOs

Info

ID:

436847

PubChem CID:

135212232

Reduced:

ON2C8H10 (3)

Stoich.:

AB2C8D10 (3)

Weight, g/mol:

534.209599

ΔHf, kcal/mol:

-2.16

Dipole, Da:

13.55

IP(EA), eV:

 -9.36(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10,16,24-triphenyl-14,16-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene

Drug info:

PubChemData

Smile

C/C=C(/CNC1CCC2(CC1)C[C@H](N(C2=O)C3=CC(=O)OC3)C)\C=C/4\CN5C(=NN=N5)C4=C

DOS

IR

Vibrations