Geometry & MOs

Info

ID:	249662
PubChem CID:	103091190
Reduced:	BrFOC11H12 (1)
Stoich.:	ABCD11E12 (1)
Weight, g/mol:	245.9714
ΔH_f, kcal/mol:	-72.6
Dipole, Da:	4.21
IP(EA), eV:	-9.56(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(3-bromothiophen-2-yl)-3-methylbut-3-en-2-ol

Drug info:

PubChemData

Smile

CC(/C(=C/C1=CC(=C(C=C1)Br)F)/C)O

DOS

IR

Vibrations