Geometry & MOs

Info

ID:	336857
PubChem CID:	127255864
Reduced:	NO4C21H23 (1)
Stoich.:	AB4C21D23 (1)
Weight, g/mol:	291.131802
ΔH_f, kcal/mol:	-112.09
Dipole, Da:	4.38
IP(EA), eV:	-9.21(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,5R,6S,6aS)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxylic acid;morpholine

Drug info:

PubChemData

Smile

CC#C[C@@H](CC(=O)O)C1=CC=C(C=C1)O.C1[C@H]([C@H](C2=CC=CC=C21)N)O

DOS

IR

Vibrations