Geometry & MOs

Info

ID:

436882

PubChem CID:

135212562

Reduced:

N2H21C30 (2)

Stoich.:

A2B21C30 (2)

Weight, g/mol:

624.231397

ΔHf, kcal/mol:

276.42

Dipole, Da:

2.72

IP(EA), eV:

 -7.93(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

22-[3-(3-phenylcarbazol-9-yl)phenyl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C31)C(=CC=C2)N(C4=CC=C(C=C4)C5=CC6=C(C=C5)N(C7=C6N8C9=CC=CC=C9C1=CC=CC=C1C8=N7)C1=CC=CC=C1)C1=CC=CC=C1C1=CC=CC=C1)C

DOS

IR

Vibrations