Geometry & MOs

Info

ID:	382568
PubChem CID:	134973814
Reduced:	O2C11H16 (2)
Stoich.:	A2B11C16 (2)
Weight, g/mol:	400.297745
ΔH_f, kcal/mol:	-142.0
Dipole, Da:	2.83
IP(EA), eV:	-8.68(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R)-3-phenylmethoxytetradec-4-ynoxy]oxane

Drug info:

PubChemData

Smile

CCCCCC#C[C@@H](COC1CCCCO1)OCC2=CC=C(C=C2)OC

DOS

IR

Vibrations