Geometry & MOs

Info

ID:

310287

PubChem CID:

126578028

Reduced:

N2H13C22 (2)

Stoich.:

A2B13C22 (2)

Weight, g/mol:

610.215747

ΔHf, kcal/mol:

256.33

Dipole, Da:

2.0

IP(EA), eV:

 -8.19(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C2)N=C4C5=CC(=CC6=C5N(C4=N3)C7=CC=CC=C76)C8=CC9=C(C=C8)N(C1=CC=CC=C19)C1=CC=CC=C1

DOS

IR

Vibrations