Geometry & MOs

Info

ID:	255161
PubChem CID:	103130437
Reduced:	ClOSN2H11C12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	24.65
Dipole, Da:	8.44
IP(EA), eV:	-8.53(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(1-methylpyrazol-3-yl)-2-morpholin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)CSC2=CC(=CC=C2)Cl

DOS

IR

Vibrations