Geometry & MOs

Info

ID:	405248
PubChem CID:	135073187
Reduced:	O3C20H28 (1)
Stoich.:	A3B20C28 (1)
Weight, g/mol:	280.167459
ΔH_f, kcal/mol:	-107.69
Dipole, Da:	3.64
IP(EA), eV:	-8.88(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2Z)-2-(1-acetyloxy-2-methylpropylidene)oct-5-ynoate

Drug info:

PubChemData

Smile

CCOC(C1CCCCC1(CC#CC2=CC=CC=C2)O)OCC

DOS

IR

Vibrations