Geometry & MOs

Info

ID:	249664
PubChem CID:	103091196
Reduced:	ClO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	166.09938
ΔH_f, kcal/mol:	-75.71
Dipole, Da:	3.48
IP(EA), eV:	-9.2(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-methyl-4-(5-methylfuran-2-yl)but-3-en-2-ol

Drug info:

PubChemData

Smile

CC(/C(=C\C1=C(C=CC=C1Cl)OC)/C)O

DOS

IR

Vibrations