Geometry & MOs

Info

ID:	402769
PubChem CID:	135057192
Reduced:	NOC13H17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	262.040754
ΔH_f, kcal/mol:	5.19
Dipole, Da:	3.73
IP(EA), eV:	-9.13(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

potassium;3-[(2R,3R)-3-[(3-fluorophenyl)methyl]oxiran-2-yl]propanoate

Drug info:

PubChemData

Smile

CC(C=C)C1=C(OC=C1)CCCCC#N

DOS

IR

Vibrations