Geometry & MOs

Info

ID:	374076
PubChem CID:	131323452
Reduced:	BrNF3C9H9 (1)
Stoich.:	ABC3D9E9 (1)
Weight, g/mol:	150.042927
ΔH_f, kcal/mol:	-130.27
Dipole, Da:	1.64
IP(EA), eV:	-9.86(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-formyl-4-methyl-1,2-oxazol-5-yl)acetonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Br)F)[C@H](CC(F)F)N

DOS

IR

Vibrations