Geometry & MOs

Info

ID:	320929
PubChem CID:	126664260
Reduced:	BrO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	351.05824
ΔH_f, kcal/mol:	-38.18
Dipole, Da:	5.96
IP(EA), eV:	-8.8(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C(=CC(=CC2=NN1C)Br)O[C@H](C)[C@@H]3CC(=O)NC3

DOS

IR

Vibrations