Geometry & MOs

Info

ID:	207050
PubChem CID:	80339043
Reduced:	ON5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	315.125277
ΔH_f, kcal/mol:	33.43
Dipole, Da:	2.54
IP(EA), eV:	-8.46(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=NN=C(C=C1)N(C)CC2=CC=CC=C2N

DOS

IR

Vibrations