Geometry & MOs

Info

ID:

325426

PubChem CID:

126683216

Reduced:

N2H40C57 (1)

Stoich.:

A2B40C57 (1)

Weight, g/mol:

662.272199

ΔHf, kcal/mol:

234.38

Dipole, Da:

1.28

IP(EA), eV:

 -7.99(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC(=CC=C5)N6C7=CC=CC8=C7C9=C(C=CC=C96)C=C8)C1=CC=C(C=C1)C1=CC=CC2=CC=CC=C21)C

DOS

IR

Vibrations