Geometry & MOs

Info

ID:	21041
PubChem CID:	586938
Reduced:	O2C9H14 (1)
Stoich.:	A2B9C14 (1)
Weight, g/mol:	154.09938
ΔH_f, kcal/mol:	-58.68
Dipole, Da:	1.0
IP(EA), eV:	-10.0(1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethynyl-2,2-dimethyloxan-4-ol

Drug info:

PubChemData

Smile

CC1(CC(CCO1)(C#C)O)C

DOS

IR

Vibrations