Geometry & MOs

Info

ID:	50733
PubChem CID:	12013317
Reduced:	OH10C11 (1)
Stoich.:	AB10C11 (1)
Weight, g/mol:	200.141244
ΔH_f, kcal/mol:	21.98
Dipole, Da:	0.95
IP(EA), eV:	-9.32(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E,2S,5S)-5-hydroxy-2-methyloct-3-enoate

Drug info:

PubChemData

Smile

C1[C@H]([C@@H]1C2=CC=CC=C2)C=C=O

DOS

IR

Vibrations