Geometry & MOs

Info

ID:	245771
PubChem CID:	103023895
Reduced:	ON3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	235.077933
ΔH_f, kcal/mol:	-18.59
Dipole, Da:	4.38
IP(EA), eV:	-9.04(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCC(=O)CC2CC3CCC(C2)N3

DOS

IR

Vibrations