Geometry & MOs

Info

ID:	320938
PubChem CID:	126664269
Reduced:	O2F4N5C20H21 (1)
Stoich.:	A2B4C5D20E21 (1)
Weight, g/mol:	439.163138
ΔH_f, kcal/mol:	-199.96
Dipole, Da:	5.59
IP(EA), eV:	-8.52(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R)-1-[3-fluoro-2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]indazol-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)CCC(F)(F)F

DOS

IR

Vibrations