Geometry & MOs

Info

ID:	8935
PubChem CID:	83777
Reduced:	OC5H8 (2)
Stoich.:	AB5C8 (2)
Weight, g/mol:	168.11503
ΔH_f, kcal/mol:	-68.15
Dipole, Da:	2.36
IP(EA), eV:	-10.66(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oct-7-ynyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCCCCCCC#C

DOS

IR

Vibrations