Geometry & MOs

Info

ID:	423642
PubChem CID:	135119889
Reduced:	NO2F3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	360.216141
ΔH_f, kcal/mol:	-247.73
Dipole, Da:	3.5
IP(EA), eV:	-8.97(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1C[C@H]([C@@]2(C1)CCCN(C2)CC3=CC(=CC=C3)OC(F)(F)F)O

DOS

IR

Vibrations