Geometry & MOs

Info

ID:

447086

PubChem CID:

135280161

Reduced:

N2H22C37 (1)

Stoich.:

A2B22C37 (1)

Weight, g/mol:

676.226312

ΔHf, kcal/mol:

169.46

Dipole, Da:

2.38

IP(EA), eV:

 -7.59(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

19-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-8-oxa-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2,4,6,9,11,13(23),14(24),15,17,19,21-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C=CC=C4C3=C(C=C2)N5C6=C4C=C(C7=C6C(=CC=C7)C8=C5N=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations