Geometry & MOs

Info

ID:

325419

PubChem CID:

126683183

Reduced:

NH19C29 (2)

Stoich.:

AB19C29 (2)

Weight, g/mol:

636.256549

ΔHf, kcal/mol:

261.83

Dipole, Da:

0.89

IP(EA), eV:

 -8.09(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[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]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C3=CC(=CC=C3)N(C4=CC=CC(=C4)C5=CC(=CC=C5)N6C7=CC=CC8=C7C9=C(C=CC=C96)C=C8)C1=CC=CC(=C1)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations