Geometry & MOs

Info

ID:

328264

PubChem CID:

126700435

Reduced:

O5N8C28H34 (1)

Stoich.:

A5B8C28D34 (1)

Weight, g/mol:

558.209599

ΔHf, kcal/mol:

-117.98

Dipole, Da:

7.71

IP(EA), eV:

 -8.8(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-(3-phenylphenyl)-11,21-diazaoctacyclo[19.10.1.02,14.04,12.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,5,7,9,12,15,17,19,22,24,26,28(32),29-pentadecaene

Drug info:

PubChemData

Smile

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)OC\4CCCCC/C=C4

DOS

IR

Vibrations