Geometry & MOs

Info

ID:	279951
PubChem CID:	103845898
Reduced:	NO3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	219.074287
ΔH_f, kcal/mol:	-79.97
Dipole, Da:	3.76
IP(EA), eV:	-9.43(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-methoxy-2-(methoxycarbonylamino)-5-oxopentanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C#N)CCC(=O)O

DOS

IR

Vibrations