Geometry & MOs

Info

ID:	208903
PubChem CID:	80601372
Reduced:	BrFOC16H20 (1)
Stoich.:	ABCD16E20 (1)
Weight, g/mol:	307.9619
ΔH_f, kcal/mol:	-87.7
Dipole, Da:	4.02
IP(EA), eV:	-9.58(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile

Drug info:

PubChemData

Smile

C1CCCC(CCC1)C(=O)CC2=CC(=C(C=C2)F)Br

DOS

IR

Vibrations