Geometry & MOs

Info

ID:

325388

PubChem CID:

126683035

Reduced:

N3H17C25 (2)

Stoich.:

A3B17C25 (2)

Weight, g/mol:

716.268845

ΔHf, kcal/mol:

267.34

Dipole, Da:

1.06

IP(EA), eV:

 -8.34(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12,24-bis(4-phenylquinazolin-2-yl)-12,24-diazahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-2,4,6,8,10,14,16,18,20,22-decaene

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C(=CC2=C1)C4C(N3C5=CC(=CC(=C5)C6=CN=CC=C6)C7=CN=CC=C7)C8=CC=CC=C8N4C9=CC(=CC(=C9)C1=CN=CC=C1)C1=CN=CC=C1

DOS

IR

Vibrations