Geometry & MOs

Info

ID:	320920
PubChem CID:	126664244
Reduced:	NSO5C22H27 (1)
Stoich.:	ABC5D22E27 (1)
Weight, g/mol:	308.104003
ΔH_f, kcal/mol:	-186.47
Dipole, Da:	4.4
IP(EA), eV:	-8.81(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R)-1-(6-chloro-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl)oxyethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C2CC(=O)N(C2)[C@@H](C)C3=CC=C(C=C3)OC

DOS

IR

Vibrations