Geometry & MOs

Info

ID:	337051
PubChem CID:	127256616
Reduced:	O3C16H20 (1)
Stoich.:	A3B16C20 (1)
Weight, g/mol:	240.172545
ΔH_f, kcal/mol:	-78.68
Dipole, Da:	1.39
IP(EA), eV:	-8.85(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[4-(oxan-2-yloxy)butylidene]oxane

Drug info:

PubChemData

Smile

C[C@](COC1=CC=CC=C1)(C#C)OC2CCCCO2

DOS

IR

Vibrations