Geometry & MOs

Info

ID:	373047
PubChem CID:	131309064
Reduced:	BrON2H7C11 (1)
Stoich.:	ABC2D7E11 (1)
Weight, g/mol:	261.97418
ΔH_f, kcal/mol:	44.37
Dipole, Da:	8.47
IP(EA), eV:	-8.89(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromo-2-methylphenyl)-1,2-oxazole-5-carbonitrile

Drug info:

PubChemData

Smile

CN1C=C(C2=C(C=CC=C21)C(=O)C#N)Br

DOS

IR

Vibrations