Geometry & MOs

Info

ID:

435943

PubChem CID:

135192921

Reduced:

N4H32C47 (1)

Stoich.:

A4B32C47 (1)

Weight, g/mol:

639.242296

ΔHf, kcal/mol:

234.31

Dipole, Da:

1.72

IP(EA), eV:

 -8.05(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

17-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,15,17-triazahexacyclo[16.8.0.02,7.08,16.09,14.021,26]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene

Drug info:

PubChemData

Smile

C1C=C2N(C3=CC=CC=C3C4=CC5=CC=CC=C5C=C4N2C6=CC=CC=C61)C7=CC=C(C=C7)C8=NC(=NC(=C8)C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations