Geometry & MOs

Info

ID:	340294
PubChem CID:	127262305
Reduced:	O3C16H28 (1)
Stoich.:	A3B16C28 (1)
Weight, g/mol:	265.167794
ΔH_f, kcal/mol:	-174.33
Dipole, Da:	3.51
IP(EA), eV:	-9.91(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1-hydroxybut-2-ynyl)piperidin-4-yl] 2-cyclobutylacetate

Drug info:

PubChemData

Smile

CCCC(C(=O)C)C(C)(C)COC(=O)CC1CCC1

DOS

IR

Vibrations