Geometry & MOs

Info

ID:	18212
PubChem CID:	538923
Reduced:	NO3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	225.136493
ΔH_f, kcal/mol:	-98.42
Dipole, Da:	3.91
IP(EA), eV:	-8.54(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-morpholin-4-ylhex-4-yn-2-yl acetate

Drug info:

PubChemData

Smile

CC(CC#CCN1CCOCC1)OC(=O)C

DOS

IR

Vibrations