Geometry & MOs

Info

ID:	294376
PubChem CID:	117454917
Reduced:	BrN2O2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	282.00039
ΔH_f, kcal/mol:	1.77
Dipole, Da:	8.51
IP(EA), eV:	-8.23(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-bromo-2-methoxy-4-methylphenyl)-1,2-oxazol-3-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(/C(=C/2\C=C(NO2)N)/C1=O)C)Br

DOS

IR

Vibrations