Geometry & MOs

Info

ID:	384573
PubChem CID:	134977242
Reduced:	NO3C26H37 (1)
Stoich.:	AB3C26D37 (1)
Weight, g/mol:	271.255964
ΔH_f, kcal/mol:	-92.02
Dipole, Da:	1.34
IP(EA), eV:	-9.72(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(11,11,12,12,12-pentadeuteriododec-9-ynoxy)oxane

Drug info:

PubChemData

Smile

CCCCCCCCCC#CCCC[C@@H]1[C@@H]2[C@H]([C@@H](O1)OC)N=C(O2)C3=CC=CC=C3

DOS

IR

Vibrations