Geometry & MOs

Info

ID:	402302
PubChem CID:	135055379
Reduced:	FOH13C15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	372.302831
ΔH_f, kcal/mol:	-40.13
Dipole, Da:	3.13
IP(EA), eV:	-9.37(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-ditert-butyl-4-methylphenyl) (E,2S)-2-ethyloct-3-enoate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)C(=O)C2=CC=CC=C2F

DOS

IR

Vibrations