Geometry & MOs

Info

ID:	320907
PubChem CID:	126664228
Reduced:	FO2N5C21H24 (1)
Stoich.:	AB2C5D21E24 (1)
Weight, g/mol:	385.191403
ΔH_f, kcal/mol:	-29.42
Dipole, Da:	3.15
IP(EA), eV:	-8.37(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R)-1-[6-[1-(2-fluoroethyl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C[C@H](C1CC(=O)NC1)OC2=CC(=CC3=NN(C(=C23)F)C)C4=CN(N=C4)C5CCC5

DOS

IR

Vibrations