Geometry & MOs

Info

ID:	338065
PubChem CID:	127258696
Reduced:	NO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	197.105193
ΔH_f, kcal/mol:	-89.15
Dipole, Da:	4.53
IP(EA), eV:	-9.61(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2E)-2-pyrrolidin-2-ylideneethyl] 3-oxobutanoate

Drug info:

PubChemData

Smile

CC(=O)CC(=O)OC/C=C\C1=CC=CC=N1

DOS

IR

Vibrations