Geometry & MOs

Info

ID:	259558
PubChem CID:	103168074
Reduced:	O4C17H24 (1)
Stoich.:	A4B17C24 (1)
Weight, g/mol:	208.14633
ΔH_f, kcal/mol:	-146.3
Dipole, Da:	5.99
IP(EA), eV:	-9.24(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethoxycyclobutyl)hept-5-yn-2-one

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(=O)C2=CC=CC=C2OCCOC

DOS

IR

Vibrations