Geometry & MOs

Info

ID:	412685
PubChem CID:	135085599
Reduced:	NOSC12H13 (1)
Stoich.:	ABCD12E13 (1)
Weight, g/mol:	259.98482
ΔH_f, kcal/mol:	3.58
Dipole, Da:	3.64
IP(EA), eV:	-9.69(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-bromo-1-fluoroethenyl)-1,2-dimethoxybenzene

Drug info:

PubChemData

Smile

CCSC(=O)C(CC1=CC=CC=C1)C#N

DOS

IR

Vibrations