Geometry & MOs

Info

ID:	278103
PubChem CID:	103833384
Reduced:	ON5C10H19 (1)
Stoich.:	AB5C10D19 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	-24.88
Dipole, Da:	5.75
IP(EA), eV:	-10.03(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(oxane-2-carbonylamino)-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CCC(C)[C@@H](C(=O)NC(C)C1=NC=NN1)N

DOS

IR

Vibrations