Geometry & MOs

Info

ID:	342564
PubChem CID:	127265724
Reduced:	O2N3C15H21 (1)
Stoich.:	A2B3C15D21 (1)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	-41.81
Dipole, Da:	1.19
IP(EA), eV:	-9.4(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,5-dimethylpyrazol-4-yl)-1-(2-propanoylpiperidin-1-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CCC(=O)C1CCCCN1C(=O)C=CC2=CC=NN2C

DOS

IR

Vibrations