Geometry & MOs

Info

ID:

427802

PubChem CID:

135163142

Reduced:

NH25C40 (1)

Stoich.:

AB25C40 (1)

Weight, g/mol:

487.173628

ΔHf, kcal/mol:

175.95

Dipole, Da:

2.34

IP(EA), eV:

 -7.96(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(4-fluorophenyl)-19-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C4=CC=CC=C42)C5=C(C6=CC=CC=C63)N(C7=CC=CC=C75)C8=CC9=CC=CC=C9C=C8

DOS

IR

Vibrations