Geometry & MOs

Info

ID:	245788
PubChem CID:	103023943
Reduced:	OF3N3C10H14 (1)
Stoich.:	AB3C3D10E14 (1)
Weight, g/mol:	234.082684
ΔH_f, kcal/mol:	-168.92
Dipole, Da:	1.87
IP(EA), eV:	-9.3(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylpyrazol-4-yl)-1-(3-methylthiophen-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)CCC1=CN(N=C1)C)(C(F)(F)F)N

DOS

IR

Vibrations