Geometry & MOs

Info

ID:	245811
PubChem CID:	103024052
Reduced:	ON3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	264.107419
ΔH_f, kcal/mol:	6.0
Dipole, Da:	3.3
IP(EA), eV:	-8.6(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-difluoro-5-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CCC(=O)CCC2=CC(=CC=C2)N

DOS

IR

Vibrations