Geometry & MOs

Info

ID:	52486
PubChem CID:	12015364
Reduced:	OC4H5 (2)
Stoich.:	AB4C5 (2)
Weight, g/mol:	166.09938
ΔH_f, kcal/mol:	-16.97
Dipole, Da:	6.39
IP(EA), eV:	-9.33(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-7-methoxy-2,2-dimethylhept-6-en-4-yn-3-one

Drug info:

PubChemData

Smile

CCC(=O)C#C/C=C\OC

DOS

IR

Vibrations