Geometry & MOs

Info

ID:	338064
PubChem CID:	127258695
Reduced:	NO3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	219.089543
ΔH_f, kcal/mol:	-133.63
Dipole, Da:	4.71
IP(EA), eV:	-9.09(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-3-pyridin-2-ylprop-2-enyl] 3-oxobutanoate

Drug info:

PubChemData

Smile

CC(=O)CC(=O)OC/C=C/1\CCCCN1

DOS

IR

Vibrations