Geometry & MOs

Info

ID:

127835

PubChem CID:

51018922

Reduced:

ON2C8H8 (2)

Stoich.:

AB2C8D8 (2)

Weight, g/mol:

657.227345

ΔHf, kcal/mol:

58.05

Dipole, Da:

5.83

IP(EA), eV:

 -9.23(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,5R)-N-cyclopropyl-7-[4-[2-[3-(2,3-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]phenyl]-N-[(3-methoxy-2-methylphenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide

Drug info:

PubChemData

Smile

C[C@@]12[C@H]3C=C([C@@]4(C(C1C3(C(=N4)OC)C#N)C(=N2)OC)C)C#N

DOS

IR

Vibrations