Geometry & MOs

Info

ID:	320928
PubChem CID:	126664259
Reduced:	BrON2C10H11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	351.05824
ΔH_f, kcal/mol:	11.8
Dipole, Da:	6.07
IP(EA), eV:	-8.41(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C(=CC(=CC2=NN1C)Br)OC

DOS

IR

Vibrations