Geometry & MOs

Info

ID:	392453
PubChem CID:	135016501
Reduced:	O3C6H11 (2)
Stoich.:	A3B6C11 (2)
Weight, g/mol:	190.135765
ΔH_f, kcal/mol:	-301.2
Dipole, Da:	3.05
IP(EA), eV:	-10.26(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(cyclohexen-1-yl)ethynyl]oxane

Drug info:

PubChemData

Smile

CC1(OC[C@H](O1)[C@@H]2[C@H](OC(O2)(C)C)[C@@H](CO)O)C

DOS

IR

Vibrations