Geometry & MOs

Info

ID:	342563
PubChem CID:	127265723
Reduced:	NO2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	275.163377
ΔH_f, kcal/mol:	-93.78
Dipole, Da:	6.4
IP(EA), eV:	-8.65(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylpyrazol-3-yl)-1-(2-propanoylpiperidin-1-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CCC(C1=C(ON=C1C)C)NC(=O)C=CC2=CC(=C(C=C2)OC)O

DOS

IR

Vibrations