Geometry & MOs

Info

ID:

323322

PubChem CID:

126674164

Reduced:

FCl2O2C12H13 (1)

Stoich.:

AB2C2D12E13 (1)

Weight, g/mol:

541.202477

ΔHf, kcal/mol:

-148.57

Dipole, Da:

3.55

IP(EA), eV:

 -10.19(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-8-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

Drug info:

PubChemData

Smile

CC(CCCCl)(C1=C(C=C(C=C1)F)Cl)C(=O)O

DOS

IR

Vibrations