Geometry & MOs

Info

ID:	380806
PubChem CID:	134971371
Reduced:	O2N5C13H13 (1)
Stoich.:	A2B5C13D13 (1)
Weight, g/mol:	145.073893
ΔH_f, kcal/mol:	25.11
Dipole, Da:	9.77
IP(EA), eV:	-10.56(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-1-(4,5-dihydro-1,2-oxazol-3-yl)propane-1,2-diol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCN3C=NN=N3

DOS

IR

Vibrations