Geometry & MOs

Info

ID:	249506
PubChem CID:	103090077
Reduced:	OSN2C10H18 (1)
Stoich.:	ABC2D10E18 (1)
Weight, g/mol:	242.145285
ΔH_f, kcal/mol:	-27.74
Dipole, Da:	2.89
IP(EA), eV:	-8.6(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-ethyl-2-methylpyrazol-3-yl)-5-methylsulfanylpentan-2-ol

Drug info:

PubChemData

Smile

CCN1C(=CC=N1)C(CCCSC)O

DOS

IR

Vibrations