Geometry & MOs

Info

ID:	249675
PubChem CID:	103091300
Reduced:	FOC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	214.056071
ΔH_f, kcal/mol:	-85.13
Dipole, Da:	1.77
IP(EA), eV:	-9.37(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)/C=C(\C)/C(C)O

DOS

IR

Vibrations