Geometry & MOs

Info

ID:	201555
PubChem CID:	79556261
Reduced:	BrON2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	232.02113
ΔH_f, kcal/mol:	29.45
Dipole, Da:	2.96
IP(EA), eV:	-9.13(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-pentan-2-yl-1,2-oxazol-3-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations