Geometry & MOs

Info

ID:

325425

PubChem CID:

126683196

Reduced:

NH19C29 (2)

Stoich.:

AB19C29 (2)

Weight, g/mol:

752.319149

ΔHf, kcal/mol:

321.79

Dipole, Da:

2.94

IP(EA), eV:

 -8.19(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[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]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C3=CC=C(C=C3)N(C4=CC=C(C=C4)C5=CC=CC6=CC=CC=C65)C7=CC=CC(=C7)C8=CC(=CC=C8)N9C1=CC=CC2=C1C1=C(C=CC=C19)C=C2

DOS

IR

Vibrations