Geometry & MOs

Info

ID:	201558
PubChem CID:	79556264
Reduced:	BrON2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	296.9749
ΔH_f, kcal/mol:	31.7
Dipole, Da:	3.96
IP(EA), eV:	-9.15(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=C(C(=NO2)N)Br)C

DOS

IR

Vibrations