Geometry & MOs

Info

ID:	343398
PubChem CID:	127266571
Reduced:	SN3O4H19C20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	341.221561
ΔH_f, kcal/mol:	-85.93
Dipole, Da:	8.49
IP(EA), eV:	-8.26(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-1-methyl-4-[3-(N-methylanilino)propylamino]-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(=O)N1CC(C1)OCC(=O)NC2=C/C(=C\3/NC4=CC=CC=C4S3)/C(=O)C=C2

DOS

IR

Vibrations