Geometry & MOs

Info

ID:

427803

PubChem CID:

135163144

Reduced:

FNH22C36 (1)

Stoich.:

ABC22D36 (1)

Weight, g/mol:

788.319149

ΔHf, kcal/mol:

112.51

Dipole, Da:

0.45

IP(EA), eV:

 -8.04(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-phenyl-N-(4-phenylphenyl)-2-[3-(4-phenylphenyl)-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaen-18-yl]aniline

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=CC=C(C=C8)F

DOS

IR

Vibrations