Geometry & MOs

Info

ID:	287574
PubChem CID:	104247575
Reduced:	NO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-182.99
Dipole, Da:	4.64
IP(EA), eV:	-8.68(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)methyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)CC(CN1C2=C(CCC2)C=CC1=O)O

DOS

IR

Vibrations