Geometry & MOs

Info

ID:	207576
PubChem CID:	80419025
Reduced:	N2O5C11H18 (1)
Stoich.:	A2B5C11D18 (1)
Weight, g/mol:	313.0717
ΔH_f, kcal/mol:	-209.63
Dipole, Da:	3.68
IP(EA), eV:	-9.49(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(7-chloro-1,3-benzodioxol-5-yl)methyl]morpholin-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1COCC(N1)C(=O)N2CCOCC2CC(=O)O

DOS

IR

Vibrations