Geometry & MOs

Info

ID:	359930
PubChem CID:	127300064
Reduced:	SN3O4C14H23 (1)
Stoich.:	AB3C4D14E23 (1)
Weight, g/mol:	299.130363
ΔH_f, kcal/mol:	-126.11
Dipole, Da:	5.78
IP(EA), eV:	-9.69(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[1-(oxolan-3-ylmethylsulfonyl)pyrrolidin-2-yl]pyrazole

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CC2CCCN(C2)S(=O)(=O)CC3CCOC3

DOS

IR

Vibrations