Geometry & MOs

Info

ID:	45452
PubChem CID:	10513665
Reduced:	N2C15H22 (1)
Stoich.:	A2B15C22 (1)
Weight, g/mol:	230.133821
ΔH_f, kcal/mol:	9.71
Dipole, Da:	2.25
IP(EA), eV:	-8.36(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]hex-4-enoic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)C[C@@H]2CC3=CC=CC=C3CN2

DOS

IR

Vibrations