Geometry & MOs

Info

ID:	15434
PubChem CID:	441548
Reduced:	OC6H7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	190.09938
ΔH_f, kcal/mol:	9.87
Dipole, Da:	3.5
IP(EA), eV:	-9.3(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-hept-1-en-3,5-diynyloxan-3-ol

Drug info:

PubChemData

Smile

CC#CC#CC=C[C@H]1[C@@H](CCCO1)O

DOS

IR

Vibrations