Geometry & MOs

Info

ID:

314395

PubChem CID:

126621746

Reduced:

ON5H25C44 (1)

Stoich.:

AB5C25D44 (1)

Weight, g/mol:

661.215412

ΔHf, kcal/mol:

221.21

Dipole, Da:

4.51

IP(EA), eV:

 -8.26(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

22-(4-naphthalen-1-ylphenanthro[9,10-d]pyrimidin-2-yl)-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2N=C(N=C3C4=CN=CC=C4)N5C6=C(C=C(C=C6)C7=CC=CC=N7)C8=C5C=C9C(=C8)C=CC1=C9C2=CC=CC=C2O1

DOS

IR

Vibrations