Geometry & MOs

Info

ID:	446886
PubChem CID:	135278456
Reduced:	BrFOH14C18 (1)
Stoich.:	ABCD14E18 (1)
Weight, g/mol:	225.99933
ΔH_f, kcal/mol:	-17.85
Dipole, Da:	3.13
IP(EA), eV:	-8.64(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-bromoethenyl)-4-methoxy-2-methylbenzene

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=C(CC2=C)C3=CC=C(C=C3)F)Br

DOS

IR

Vibrations