Geometry & MOs

Info

ID:	374153
PubChem CID:	131324553
Reduced:	ON2C12H14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	202.120509
ΔH_f, kcal/mol:	0.83
Dipole, Da:	4.06
IP(EA), eV:	-8.38(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxy-2,2-dimethyloxan-3-yl)propanoic acid

Drug info:

PubChemData

Smile

C1CC2=C(C=CC=C2OCCC#N)NC1

DOS

IR

Vibrations