Geometry & MOs

Info

ID:	368177
PubChem CID:	127327728
Reduced:	SO3N5C15H17 (1)
Stoich.:	AB3C5D15E17 (1)
Weight, g/mol:	299.130363
ΔH_f, kcal/mol:	5.29
Dipole, Da:	7.46
IP(EA), eV:	-9.5(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[1-(oxolan-3-ylmethylsulfonyl)pyrrolidin-3-yl]pyrazole

Drug info:

PubChemData

Smile

CC1=NOC2=C1C=C(C=N2)S(=O)(=O)N3CCC(C3)C4=CN(N=C4)C

DOS

IR

Vibrations