Geometry & MOs

Info

ID:	320911
PubChem CID:	126664233
Reduced:	BrFN3O3C23H25 (1)
Stoich.:	ABC3D3E23F25 (1)
Weight, g/mol:	489.10633
ΔH_f, kcal/mol:	-95.14
Dipole, Da:	3.76
IP(EA), eV:	-8.78(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]([C@@H]1CC(=O)N(C1)C(C)C2=CC=C(C=C2)OC)OC3=CC(=CC4=NN(C(=C34)F)C)Br

DOS

IR

Vibrations