Geometry & MOs

Info

ID:	47726
PubChem CID:	10534936
Reduced:	NC11H11 (1)
Stoich.:	AB11C11 (1)
Weight, g/mol:	158.094294
ΔH_f, kcal/mol:	51.07
Dipole, Da:	4.29
IP(EA), eV:	-9.56(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E,3R)-6-hydroxy-3-methylhex-4-enoate

Drug info:

PubChemData

Smile

C/C(=C(\C)/C1=CC=CC=C1)/C#N

DOS

IR

Vibrations