Geometry & MOs

Info

ID:	411376
PubChem CID:	135084199
Reduced:	O5C12H20 (1)
Stoich.:	A5B12C20 (1)
Weight, g/mol:	180.11503
ΔH_f, kcal/mol:	-226.53
Dipole, Da:	1.88
IP(EA), eV:	-9.95(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-hex-4-en-1-yn-3-yl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

COC(=O)C(CCC/C=C\CCO)C(=O)OC

DOS

IR

Vibrations