Geometry & MOs

Info

ID:	340258
PubChem CID:	127262269
Reduced:	O3C11H12 (1)
Stoich.:	A3B11C12 (1)
Weight, g/mol:	210.125594
ΔH_f, kcal/mol:	-70.49
Dipole, Da:	1.14
IP(EA), eV:	-9.14(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3,7-dimethyloct-6-en-1-yn-3-yl] methyl carbonate

Drug info:

PubChemData

Smile

CCOC(=O)O/C/1=C/C=C\C=C/C=C1

DOS

IR

Vibrations