Geometry & MOs

Info

ID:	320906
PubChem CID:	126664227
Reduced:	FO2N5C21H24 (1)
Stoich.:	AB2C5D21E24 (1)
Weight, g/mol:	397.191403
ΔH_f, kcal/mol:	-30.06
Dipole, Da:	5.0
IP(EA), eV:	-8.37(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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]([C@@H]1CC(=O)NC1)OC2=CC(=CC3=NN(C(=C23)F)C)C4=CN(N=C4)C5CCC5

DOS

IR

Vibrations