Geometry & MOs

Info

ID:	245826
PubChem CID:	103024117
Reduced:	OSN2C16H20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	239.109233
ΔH_f, kcal/mol:	3.55
Dipole, Da:	5.07
IP(EA), eV:	-8.91(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylpyrazol-3-yl)-1-thiomorpholin-3-ylpropan-1-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCC(=O)C2=CC3=C(S2)CCCCC3

DOS

IR

Vibrations