Geometry & MOs

Info

ID:	405772
PubChem CID:	135075431
Reduced:	FO4H9C11 (1)
Stoich.:	AB4C9D11 (1)
Weight, g/mol:	289.91288
ΔH_f, kcal/mol:	-173.05
Dipole, Da:	3.14
IP(EA), eV:	-8.96(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-1,2-dibromobut-1-enyl]benzene

Drug info:

PubChemData

Smile

CC1=C(C2=CC(=C(C(=C2O1)F)O)O)C(=O)C

DOS

IR

Vibrations