Geometry & MOs

Info

ID:

325420

PubChem CID:

126683186

Reduced:

NH16C24 (2)

Stoich.:

AB16C24 (2)

Weight, g/mol:

662.272199

ΔHf, kcal/mol:

222.37

Dipole, Da:

1.23

IP(EA), eV:

 -8.02(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=CC(=C3)C4=CC(=CC=C4)N5C6=CC=CC7=C6C8=C(C=CC=C85)C=C7)C9=CC=CC1=CC=CC=C19

DOS

IR

Vibrations