Geometry & MOs

Info

ID:	238817
PubChem CID:	93165553
Reduced:	N3O4C15H23 (1)
Stoich.:	A3B4C15D23 (1)
Weight, g/mol:	310.152872
ΔH_f, kcal/mol:	-75.0
Dipole, Da:	5.37
IP(EA), eV:	-8.9(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[5-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]furan-2-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)[C@@H](CN)C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-]

DOS

IR

Vibrations