Geometry & MOs

Info

ID:

310286

PubChem CID:

126578023

Reduced:

N3H31C51 (1)

Stoich.:

A3B31C51 (1)

Weight, g/mol:

610.215747

ΔHf, kcal/mol:

264.4

Dipole, Da:

4.26

IP(EA), eV:

 -8.3(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-phenyl-21-(9-phenylcarbazol-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4(9),5,7,10,13,15,17,19(23),20-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C2)N4C5=C3C=CC=C5C6=C(C7=CC=CC=C7N=C64)C8=CC=C(C=C8)C9=CC1=C(C=C9)N(C2=CC=CC=C21)C1=CC=CC=C1

DOS

IR

Vibrations