Geometry & MOs

Info

ID:

447055

PubChem CID:

135279868

Reduced:

NH12C20 (2)

Stoich.:

AB12C20 (2)

Weight, g/mol:

534.184447

ΔHf, kcal/mol:

180.17

Dipole, Da:

2.49

IP(EA), eV:

 -7.96(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-(9-phenylcarbazol-3-yl)-1,11,13-triazahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2,4,6,8(23),9,11,13,15(22),16(21),17,19-undecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC=C(C=C4)C5=CC6=C(C=C5)N7C8=CC=CC=C8C9=CC=CC1=C9C7=C6C=C1

DOS

IR

Vibrations