Geometry & MOs

Info

ID:	249661
PubChem CID:	103091187
Reduced:	OC14H18 (1)
Stoich.:	AB14C18 (1)
Weight, g/mol:	258.00556
ΔH_f, kcal/mol:	-16.32
Dipole, Da:	2.42
IP(EA), eV:	-9.1(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(4-bromo-3-fluorophenyl)-3-methylbut-3-en-2-ol

Drug info:

PubChemData

Smile

CC(/C(=C/C1=CC=C(C=C1)C2CC2)/C)O

DOS

IR

Vibrations