Geometry & MOs

Info

ID:	245766
PubChem CID:	103023866
Reduced:	OSN4C12H16 (1)
Stoich.:	ABC4D12E16 (1)
Weight, g/mol:	292.088164
ΔH_f, kcal/mol:	30.43
Dipole, Da:	2.24
IP(EA), eV:	-9.18(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylpyrazol-4-yl)-1-(3-methylsulfonylphenyl)propan-1-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCC(=O)C2=CSC(=N2)CCN

DOS

IR

Vibrations