Geometry & MOs

Info

ID:	264389
PubChem CID:	103458646
Reduced:	OC14H24 (1)
Stoich.:	AB14C24 (1)
Weight, g/mol:	249.184112
ΔH_f, kcal/mol:	-77.08
Dipole, Da:	3.03
IP(EA), eV:	-9.46(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]hex-3-en-2-one

Drug info:

PubChemData

Smile

CCC(=CC(=O)C1CCCC(C1)C)CC

DOS

IR

Vibrations