Geometry & MOs

Info

ID:

426234

PubChem CID:

135142821

Reduced:

N4H40C45 (1)

Stoich.:

A4B40C45 (1)

Weight, g/mol:

556.262697

ΔHf, kcal/mol:

176.61

Dipole, Da:

2.76

IP(EA), eV:

 -7.97(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[4-(6-phenyl-1,2,5,6-tetrahydro-1,5-naphthyridin-2-yl)phenyl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,10,12,17,19-octaene

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C4C(=CCC3)NC(N4C5=CC=CC=C25)C6=CCC(C=C6)C7C(=NC8=CC=CC=C8N7)C9=CC=CC(=C9)C1=CC=CC=C1

DOS

IR

Vibrations