Geometry & MOs

Info

ID:	445792
PubChem CID:	135269576
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	186.149404
ΔH_f, kcal/mol:	-40.51
Dipole, Da:	4.98
IP(EA), eV:	-8.91(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(2,2-dimethylpropyl)-3,5,6,7a-tetrahydro-2H-[1,3]oxazolo[2,3-b][1,3]oxazol-4-ium

Drug info:

PubChemData

Smile

C[C@@H]1CN(CC(N1CC2=CC=CO2)C)CC3=CC=C(C=C3)C(=O)NO

DOS

IR

Vibrations