Geometry & MOs

Info

ID:

412351

PubChem CID:

135085241

Reduced:

TiN6C26H34 (1)

Stoich.:

AB6C26D34 (1)

Weight, g/mol:

704.258595

ΔHf, kcal/mol:

75.07

Dipole, Da:

18.23

IP(EA), eV:

 -7.27(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-[(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(naphthalen-1-ylmethoxy)methyl]quinolin-6-yl]urea

Drug info:

PubChemData

Smile

CC1=CC(=C([N-]1)C2=CC=CC=N2)C.CC1=CC(=C([N-]1)C2=CC=CC=N2)C.C[N-]C.C[N-]C.[Ti+4]

DOS

IR

Vibrations