Geometry & MOs

Info

ID:	355081
PubChem CID:	127287942
Reduced:	SO2N4C13H18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-46.71
Dipole, Da:	7.63
IP(EA), eV:	-9.18(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N[C@H]1C(=O)N2CCN(CC2)CC3=CSC=N3

DOS

IR

Vibrations