Geometry & MOs

Info

ID:	264391
PubChem CID:	103458742
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	284.05243
ΔH_f, kcal/mol:	-48.76
Dipole, Da:	1.79
IP(EA), eV:	-9.29(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2-ethylpyrazol-3-yl)-3-ethylpent-2-en-1-one

Drug info:

PubChemData

Smile

CCC(=CC(=O)C1=CC(=CN=C1)OC)CC

DOS

IR

Vibrations