Geometry & MOs

Info

ID:

442544

PubChem CID:

135252780

Reduced:

N17H18C31 (2)

Stoich.:

A17B18C31 (2)

Weight, g/mol:

664.237545

ΔHf, kcal/mol:

931.51

Dipole, Da:

8.79

IP(EA), eV:

 -8.74(-2.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,14-bis[3-(1,7-naphthyridin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC(=CC(=C4)C5=CC(=CC(=C5)N6C=NN=N6)N7C=NN=N7)C8=CC(=CC(=C8)N9C=NN=N9)N1C=NN=N1)C=CC1=C3C2=CC=CC=C2N1C1=CC(=CC(=C1)C1=CC(=CC(=C1)N1C=NN=N1)N1C=NN=N1)C1=CC(=CC(=C1)N1C=NN=N1)N1C=NN=N1

DOS

IR

Vibrations