Geometry & MOs

Info

ID:	371958
PubChem CID:	131282604
Reduced:	N2O3H10C11 (1)
Stoich.:	A2B3C10D11 (1)
Weight, g/mol:	276.98507
ΔH_f, kcal/mol:	-82.49
Dipole, Da:	8.1
IP(EA), eV:	-9.79(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-[(5-methyl-1,2-oxazol-3-yl)amino]benzonitrile

Drug info:

PubChemData

Smile

C1CCN2C(=C(C(=CC2=O)C(=O)O)C#N)C1

DOS

IR

Vibrations