Geometry & MOs

Info

ID:

325427

PubChem CID:

126683217

Reduced:

NH17C25 (2)

Stoich.:

AB17C25 (2)

Weight, g/mol:

738.303499

ΔHf, kcal/mol:

235.86

Dipole, Da:

0.81

IP(EA), eV:

 -8.02(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[4-[3-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(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=CC=C5C6=CC=CC=C6N7C8=CC=CC9=C8C1=C(C=CC=C17)C=C9

DOS

IR

Vibrations