Geometry & MOs

Info

ID:	245764
PubChem CID:	103023858
Reduced:	ON3C14H23 (1)
Stoich.:	AB3C14D23 (1)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	-25.58
Dipole, Da:	4.92
IP(EA), eV:	-9.39(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-one

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CCC(=O)C2CCCCC2CN

DOS

IR

Vibrations