Geometry & MOs

Info

ID:	245819
PubChem CID:	103024088
Reduced:	ON3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	246.116841
ΔH_f, kcal/mol:	33.08
Dipole, Da:	3.59
IP(EA), eV:	-9.47(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluoro-4-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CCC(=O)C(CC#C)N

DOS

IR

Vibrations