Geometry & MOs

Info

ID:	373967
PubChem CID:	131321810
Reduced:	BrOF2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	251.96467
ΔH_f, kcal/mol:	-121.5
Dipole, Da:	3.51
IP(EA), eV:	-9.91(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-(4-methyl-1,2-oxazol-3-ylidene)imidazole-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)CBr)C(F)F)CCC=O

DOS

IR

Vibrations