Geometry & MOs

Info

ID:	245795
PubChem CID:	103023979
Reduced:	ON3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	235.077933
ΔH_f, kcal/mol:	23.26
Dipole, Da:	3.5
IP(EA), eV:	-8.68(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylpyrazol-4-yl)-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCC(=O)C2CC3=CC=CC=C3N2

DOS

IR

Vibrations