Geometry & MOs

Info

ID:	413936
PubChem CID:	135086887
Reduced:	O2C11H20 (1)
Stoich.:	A2B11C20 (1)
Weight, g/mol:	182.13068
ΔH_f, kcal/mol:	-88.37
Dipole, Da:	3.36
IP(EA), eV:	-9.63(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethyl-5-methylhex-1-yn-3-yl) acetate

Drug info:

PubChemData

Smile

CC/C=C/CCCCCOCC=O

DOS

IR

Vibrations