Geometry & MOs

Info

ID:	245793
PubChem CID:	103023962
Reduced:	ON3C14H23 (1)
Stoich.:	AB3C14D23 (1)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	-25.0
Dipole, Da:	5.88
IP(EA), eV:	-9.27(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylpyrazol-4-yl)-1-(3-propoxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCC(=O)C2CCCCCC2N

DOS

IR

Vibrations