Geometry & MOs

Info

ID:	255149
PubChem CID:	103130354
Reduced:	ON3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	200.098334
ΔH_f, kcal/mol:	-9.37
Dipole, Da:	4.38
IP(EA), eV:	-8.83(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylpyrazol-3-yl)-4-methylsulfanylbutan-1-ol

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C2(CCN3CCC2C3)O

DOS

IR

Vibrations