Geometry & MOs

Info

ID:	226673
PubChem CID:	87551011
Reduced:	ClN2O5C13H19 (1)
Stoich.:	AB2C5D13E19 (1)
Weight, g/mol:	316.082599
ΔH_f, kcal/mol:	-182.28
Dipole, Da:	19.49
IP(EA), eV:	-7.95(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CN(C)C(=O)OC1=C(C=CC(=C1)C[C@@H](C(=O)OC)[NH3+])O.[Cl-]

DOS

IR

Vibrations