Geometry & MOs

Info

ID:	406502
PubChem CID:	135077823
Reduced:	ClOH13C17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	278.188195
ΔH_f, kcal/mol:	48.61
Dipole, Da:	1.9
IP(EA), eV:	-9.43(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethoxydeca-1,4-diyn-3-yl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C#C/C(=C\C(C1=CC=C(C=C1)Cl)O)/C2=CC=CC=C2

DOS

IR

Vibrations