Geometry & MOs

Info

ID:	292001
PubChem CID:	114006056
Reduced:	N3O5C11H19 (1)
Stoich.:	A3B5C11D19 (1)
Weight, g/mol:	241.142641
ΔH_f, kcal/mol:	-248.77
Dipole, Da:	3.56
IP(EA), eV:	-9.9(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-3-amino-1-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol

Drug info:

PubChemData

Smile

C1CN(CCC1O)C(=O)N[C@H](CCC(=O)N)C(=O)O

DOS

IR

Vibrations