Geometry & MOs

Info

ID:

43400

PubChem CID:

10321236

Reduced:

ON2H10C14 (2)

Stoich.:

AB2C10D14 (2)

Weight, g/mol:

444.158626

ΔHf, kcal/mol:

108.53

Dipole, Da:

7.88

IP(EA), eV:

 -9.45(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,4,7,31-tetrazaheptacyclo[16.14.0.03,16.05,14.06,11.023,32.025,30]dotriaconta-1(18),2,4,6(11),7,9,14,16,23,25(30),27,31-dodecaene-26,29-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C(=O)N2C(C3=CC=CC=C3N(C2C#N)C(=O)/C=C/C4=CC=CC=C4)C#N

DOS

IR

Vibrations