Geometry & MOs

Info

ID:

449275

PubChem CID:

135297316

Reduced:

N2H13C22 (2)

Stoich.:

A2B13C22 (2)

Weight, g/mol:

558.209599

ΔHf, kcal/mol:

239.34

Dipole, Da:

2.76

IP(EA), eV:

 -8.06(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(3-phenylphenyl)-5,21-diazaoctacyclo[19.10.1.02,14.04,12.06,11.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,6,8,10,12,15,17,19,22,24,26,28(32),29-pentadecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)N4C5=CC=CC=C5C6=CC7=C(C=C64)C8=CC=CC9=C8N(C1=CC=CC=C91)C1=CC=CC=C17

DOS

IR

Vibrations