Geometry & MOs

Info

ID:	294371
PubChem CID:	117454614
Reduced:	ClN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	281.964
ΔH_f, kcal/mol:	-60.28
Dipole, Da:	2.07
IP(EA), eV:	-8.87(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-bromo-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine

Drug info:

PubChemData

Smile

CNCC(=O)C1=CC(=C(C=C1)CN2CCOCC2)Cl

DOS

IR

Vibrations