Geometry & MOs

Info

ID:

442549

PubChem CID:

135252833

Reduced:

O2N3H12C21 (2)

Stoich.:

A2B3C12D21 (2)

Weight, g/mol:

512.174945

ΔHf, kcal/mol:

141.93

Dipole, Da:

2.34

IP(EA), eV:

 -8.01(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,14-bis(1,7-naphthyridin-2-yl)-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=NC=CO5)C6=NC=CO6)C=CC7=C3C8=CC=CC=C8N7C9=CC(=CC(=C9)C1=NC=CO1)C1=NC=CO1

DOS

IR

Vibrations