Geometry & MOs

Info

ID:

329600

PubChem CID:

126738876

Reduced:

SN2F3O3H22C25 (2)

Stoich.:

AB2C3D3E22F25 (2)

Weight, g/mol:

668.319149

ΔHf, kcal/mol:

-251.31

Dipole, Da:

13.66

IP(EA), eV:

 -7.4(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-tert-butylphenyl)-N-(7,8-dihydrotriphenylen-1-yl)-9-naphthalen-1-ylcarbazol-2-amine

Drug info:

PubChemData

Smile

C1CC[N+]23C=CCC4=C(C2(C1)C(=CC=C3)/C=C/C5=CC=C(C=C5)C6=CC=CC=N6)C7=C[NH2+]C=C(C=C7CC4)/C=C/C8=CC=C(C=C8)C9=CC=CC=N9.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

DOS

IR

Vibrations