Geometry & MOs

Info

ID:

297794

PubChem CID:

117631193

Reduced:

BrN5O6C32H40 (1)

Stoich.:

AB5C6D32E40 (1)

Weight, g/mol:

439.150761

ΔHf, kcal/mol:

-174.12

Dipole, Da:

7.6

IP(EA), eV:

 -9.2(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2-pyridin-2-ylphenyl)-[(1S,4R,6R)-6-[5-(trifluoromethyl)pyridin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC2=CC(=NN2C(=C1C(C(=O)O)OC(C)(C)C)N3CCC(CC3)(C)OCC=C)C(=O)NCC(=O)CC4=CC(=CC=C4)Br

DOS

IR

Vibrations