Geometry & MOs

Info

ID:	266584
PubChem CID:	103573160
Reduced:	ON5C14H17 (1)
Stoich.:	AB5C14D17 (1)
Weight, g/mol:	278.210661
ΔH_f, kcal/mol:	53.35
Dipole, Da:	2.26
IP(EA), eV:	-8.44(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(2-methylpropyl)-6-(1-propylpyrazol-4-yl)piperidin-2-one

Drug info:

PubChemData

Smile

CCCN1C=C(C=N1)C2=C(N3C=CC=C(C3=N2)OC)N

DOS

IR

Vibrations