Geometry & MOs

Info

ID:	249673
PubChem CID:	103091253
Reduced:	Br2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	225.080121
ΔH_f, kcal/mol:	-67.39
Dipole, Da:	3.1
IP(EA), eV:	-9.38(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(4-fluoro-3-nitrophenyl)-3-methylbut-3-en-2-ol

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Br)/C=C(/C)\C(C)O)Br

DOS

IR

Vibrations