Geometry & MOs

Info

ID:	381354
PubChem CID:	134972064
Reduced:	O2C11H17 (2)
Stoich.:	A2B11C17 (2)
Weight, g/mol:	164.120115
ΔH_f, kcal/mol:	-186.86
Dipole, Da:	2.05
IP(EA), eV:	-8.9(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-2-[(2S)-but-3-en-2-yl]-5-ethynyl-3-methyloxolane

Drug info:

PubChemData

Smile

CCOC(C)OC1(CCC2=C(CC1)C(CCC2)(C)C)C#CCOC(=O)C

DOS

IR

Vibrations