Geometry & MOs

Info

ID:

445075

PubChem CID:

135264477

Reduced:

N3H31C43 (1)

Stoich.:

A3B31C43 (1)

Weight, g/mol:

486.184447

ΔHf, kcal/mol:

240.69

Dipole, Da:

2.85

IP(EA), eV:

 -8.32(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-phenyl-11-(6-pyridin-3-ylpyridin-2-yl)-7,11-diazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene

Drug info:

PubChemData

Smile

C=C/C(=C\N=C)/C1=CC(=CC(=C1)C2=CN=CC=C2)N3C=CC4=C3C5=C(C=C4)C(C6=CC=CC=C65)(C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations