Geometry & MOs

Info

ID:	259559
PubChem CID:	103168084
Reduced:	O2C13H20 (1)
Stoich.:	A2B13C20 (1)
Weight, g/mol:	207.137162
ΔH_f, kcal/mol:	-66.48
Dipole, Da:	4.41
IP(EA), eV:	-9.77(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclobutyl-1-(3-propyltriazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(=O)CCC#CC

DOS

IR

Vibrations