Geometry & MOs

Info

ID:	255646
PubChem CID:	103133722
Reduced:	ON3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	216.056863
ΔH_f, kcal/mol:	35.4
Dipole, Da:	6.11
IP(EA), eV:	-8.29(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylpyrazol-3-yl)-2-methylsulfonylpropan-1-one

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)C2=CC=C(C=C2)N(C)C

DOS

IR

Vibrations