Geometry & MOs

Info

ID:	320940
PubChem CID:	126664271
Reduced:	BrN3O3C24H28 (1)
Stoich.:	AB3C3D24E28 (1)
Weight, g/mol:	485.1314
ΔH_f, kcal/mol:	-61.43
Dipole, Da:	8.88
IP(EA), eV:	-8.64(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C(=CC(=CC2=NN1C)Br)O[C@H](C)[C@@H]3CC(=O)N(C3)[C@@H](C)C4=CC=C(C=C4)OC

DOS

IR

Vibrations