Geometry & MOs

Info

ID:	320905
PubChem CID:	126664226
Reduced:	NO3C21H27 (1)
Stoich.:	AB3C21D27 (1)
Weight, g/mol:	397.191403
ΔH_f, kcal/mol:	-109.25
Dipole, Da:	3.43
IP(EA), eV:	-9.24(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-[(1R)-1-[6-(1-cyclobutylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N[C@H]2CCC(C[C@@H]2O)(O)OCC3=CC=CC=C3

DOS

IR

Vibrations