Geometry & MOs

Info

ID:	200596
PubChem CID:	79415346
Reduced:	NO3C8H13 (1)
Stoich.:	AB3C8D13 (1)
Weight, g/mol:	157.073893
ΔH_f, kcal/mol:	-119.2
Dipole, Da:	4.3
IP(EA), eV:	-10.98(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-2-hydroxyhexanoic acid

Drug info:

PubChemData

Smile

CCCC(C#N)C(C(=O)OC)O

DOS

IR

Vibrations