Geometry & MOs

Info

ID:

445972

PubChem CID:

135270245

Reduced:

FON7C26H26 (1)

Stoich.:

ABC7D26E26 (1)

Weight, g/mol:

498.454914

ΔHf, kcal/mol:

62.3

Dipole, Da:

5.74

IP(EA), eV:

 -8.82(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(4-butylcyclohexyl)but-1-en-2-yl]-1,5-dimethyl-6-[1-[(4-methylcyclohexyl)methoxy]ethenyl]-6-azabicyclo[3.2.1]octan-3-amine

Drug info:

PubChemData

Smile

CN(C)[C@@H]1CCN(C1)C(=O)C2=C(C=C(C=C2)C3=CN=C(C(=N3)C4=NN=C(C4)C5=CC=CC=C5)N)F

DOS

IR

Vibrations