Geometry & MOs

Info

ID:

321194

PubChem CID:

126665167

Reduced:

F3O3N6H19C21 (1)

Stoich.:

A3B3C6D19E21 (1)

Weight, g/mol:

370.171499

ΔHf, kcal/mol:

-149.83

Dipole, Da:

9.24

IP(EA), eV:

 -9.19(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1S,9R,13R)-4-hydroxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]-N-methyl-2-thiophen-2-ylacetamide

Drug info:

PubChemData

Smile

C1[C@@H](CN([C@H]1C2=CC(=CC(=C2)F)F)C(=O)C3=C4C(=NN3)N=CN=C4N[C@@H]5C=C[C@H]([C@H]5O)O)F

DOS

IR

Vibrations