Geometry & MOs

Info

ID:	264386
PubChem CID:	103458627
Reduced:	ON2C11H16 (1)
Stoich.:	AB2C11D16 (1)
Weight, g/mol:	206.141913
ΔH_f, kcal/mol:	-2.72
Dipole, Da:	2.41
IP(EA), eV:	-9.8(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-1-(1-methylpyrazol-4-yl)hex-3-en-2-one

Drug info:

PubChemData

Smile

CCC(=CC(=O)C1=CN(N=C1)C)CC

DOS

IR

Vibrations