Geometry & MOs

Info

ID:	250416
PubChem CID:	103096435
Reduced:	SN2O4C9H14 (1)
Stoich.:	AB2C4D9E14 (1)
Weight, g/mol:	236.127326
ΔH_f, kcal/mol:	-123.11
Dipole, Da:	5.45
IP(EA), eV:	-11.1(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)C2CCS(=O)(=O)C2)O

DOS

IR

Vibrations