Geometry & MOs

Info

ID:	338071
PubChem CID:	127258702
Reduced:	NO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	201.100108
ΔH_f, kcal/mol:	-85.82
Dipole, Da:	1.81
IP(EA), eV:	-9.37(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2Z)-2-propoxyiminoethyl] 3-oxobutanoate

Drug info:

PubChemData

Smile

CC(=O)CC(=O)OCC=NC1=CC=CC=C1

DOS

IR

Vibrations