Geometry & MOs

Info

ID:	279257
PubChem CID:	103842306
Reduced:	NSO3C9H19 (1)
Stoich.:	ABC3D9E19 (1)
Weight, g/mol:	195.137162
ΔH_f, kcal/mol:	-148.44
Dipole, Da:	3.32
IP(EA), eV:	-9.28(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CCCS(=O)(=O)CCN1CCC(C1)O

DOS

IR

Vibrations