Geometry & MOs

Info

ID:	399652
PubChem CID:	135041530
Reduced:	O2C7H8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	242.151809
ΔH_f, kcal/mol:	-58.8
Dipole, Da:	2.08
IP(EA), eV:	-9.12(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E,4R,5R)-5-cyclohexyl-5-hydroxy-4-methoxypent-2-enoate

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1C[C@]2(CC3=CC=CC=C3[C@@H]1O2)OC

DOS

IR

Vibrations