Geometry & MOs

Info

ID:	249489
PubChem CID:	103089936
Reduced:	NOSC15H19 (1)
Stoich.:	ABCD15E19 (1)
Weight, g/mol:	256.160935
ΔH_f, kcal/mol:	-20.34
Dipole, Da:	3.77
IP(EA), eV:	-8.56(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-diethylpyrazol-3-yl)-5-methylsulfanylpentan-2-ol

Drug info:

PubChemData

Smile

CSCCCC(CC1=NC2=CC=CC=C2C=C1)O

DOS

IR

Vibrations