Geometry & MOs

Info

ID:	249505
PubChem CID:	103090075
Reduced:	OSC16H24 (1)
Stoich.:	ABC16D24 (1)
Weight, g/mol:	214.113984
ΔH_f, kcal/mol:	-59.45
Dipole, Da:	1.49
IP(EA), eV:	-8.55(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethylpyrazol-3-yl)-4-methylsulfanylbutan-1-ol

Drug info:

PubChemData

Smile

CSCCCC(CC1CCCC2=CC=CC=C12)O

DOS

IR

Vibrations