Geometry & MOs

Info

ID:

297780

PubChem CID:

117630631

Reduced:

NO3C19H36 (2)

Stoich.:

AB3C19D36 (2)

Weight, g/mol:

444.140925

ΔHf, kcal/mol:

-342.07

Dipole, Da:

7.56

IP(EA), eV:

 -8.88(0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-methyl-2-(1,3-oxazol-2-yl)pyridin-3-yl]-[(1S,4R,6R)-6-[5-(trifluoromethyl)pyridin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone

Drug info:

PubChemData

Smile

CCCCCCCCON1C(CCC(C1(C)C)C(CC(=O)O)C(=O)OC2CCC(N(C2(C)C)OCCCCCCCC)(C)C)(C)C

DOS

IR

Vibrations