Geometry & MOs

Info

ID:	399694
PubChem CID:	135041804
Reduced:	O4C13H20 (1)
Stoich.:	A4B13C20 (1)
Weight, g/mol:	150.06808
ΔH_f, kcal/mol:	-188.12
Dipole, Da:	1.7
IP(EA), eV:	-10.17(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hepta-4,6-diynyl acetate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C(\C)/C(=C(\C)/C(=O)OCC)/C

DOS

IR

Vibrations