Geometry & MOs

Info

ID:

325428

PubChem CID:

126683220

Reduced:

NH19C28 (2)

Stoich.:

AB19C28 (2)

Weight, g/mol:

738.303499

ΔHf, kcal/mol:

252.18

Dipole, Da:

1.9

IP(EA), eV:

 -7.99(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)C7=CC(=CC=C7)N8C9=CC=CC1=C9C2=C(C=CC=C28)C=C1

DOS

IR

Vibrations