Geometry & MOs

Info

ID:	201557
PubChem CID:	79556263
Reduced:	BrON3H8C12 (1)
Stoich.:	ABC3D8E12 (1)
Weight, g/mol:	266.00548
ΔH_f, kcal/mol:	80.79
Dipole, Da:	4.39
IP(EA), eV:	-9.23(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)C3=C(C(=NO3)N)Br)N=CC=C2

DOS

IR

Vibrations