Geometry & MOs

Info

ID:	380061
PubChem CID:	134964832
Reduced:	FO2H11C14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	258.198365
ΔH_f, kcal/mol:	-81.8
Dipole, Da:	3.11
IP(EA), eV:	-9.24(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-benzylidene-2,2-dimethyl-6-(2-methylpropyl)oxane

Drug info:

PubChemData

Smile

C1C2=C(C=CC(=C2)O)C(O1)C3=CC=C(C=C3)F

DOS

IR

Vibrations