Geometry & MOs

Info

ID:	329209
PubChem CID:	126731995
Reduced:	ON3C7H9 (1)
Stoich.:	AB3C7D9 (1)
Weight, g/mol:	229.131408
ΔH_f, kcal/mol:	41.33
Dipole, Da:	5.61
IP(EA), eV:	-8.72(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (5S)-4-oxo-5-(propanoylamino)hexanoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CN)N=O)N

DOS

IR

Vibrations