Geometry & MOs

Info

ID:	337050
PubChem CID:	127256615
Reduced:	O3C20H38 (1)
Stoich.:	A3B20C38 (1)
Weight, g/mol:	260.141245
ΔH_f, kcal/mol:	-185.12
Dipole, Da:	1.53
IP(EA), eV:	-9.44(1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-2-methyl-1-phenoxybut-3-yn-2-yl]oxyoxane

Drug info:

PubChemData

Smile

CCCCCCCC(C/C=C/CCCOC1CCCCO1)OC

DOS

IR

Vibrations