Geometry & MOs

Info

ID:	245759
PubChem CID:	103023840
Reduced:	ON2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	265.215413
ΔH_f, kcal/mol:	5.09
Dipole, Da:	3.73
IP(EA), eV:	-9.27(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-aminoethyl)-1-(1-methylpyrazol-4-yl)nonan-3-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCC(=O)C2CC3CC3C2

DOS

IR

Vibrations