Geometry & MOs

Info

ID:	207566
PubChem CID:	80417787
Reduced:	NO6C12H19 (1)
Stoich.:	AB6C12D19 (1)
Weight, g/mol:	288.111007
ΔH_f, kcal/mol:	-278.2
Dipole, Da:	6.31
IP(EA), eV:	-9.79(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(3-ethynylphenyl)carbamoyl]morpholin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)CCC(=O)N1CCOCC1CC(=O)O

DOS

IR

Vibrations