Geometry & MOs

Info

ID:	393153
PubChem CID:	135019592
Reduced:	OC7H10 (3)
Stoich.:	AB7C10 (3)
Weight, g/mol:	348.23006
ΔH_f, kcal/mol:	-110.68
Dipole, Da:	2.97
IP(EA), eV:	-9.49(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,5R)-2-hexyl-3-hydroxy-5-phenylmethoxyoct-7-enoic acid

Drug info:

PubChemData

Smile

CCCCCC[C@@H]1[C@H](OC1=O)C[C@@H](CC=C)OCC2=CC=CC=C2

DOS

IR

Vibrations