Geometry & MOs

Info

ID:	255653
PubChem CID:	103133799
Reduced:	ON3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	228.126263
ΔH_f, kcal/mol:	31.78
Dipole, Da:	4.84
IP(EA), eV:	-9.71(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)CCC2=CC=CC=N2

DOS

IR

Vibrations