Geometry & MOs

Info

ID:	287573
PubChem CID:	104247514
Reduced:	BrON2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	-9.63
Dipole, Da:	3.06
IP(EA), eV:	-8.57(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-hydroxy-4-(2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)butanoate

Drug info:

PubChemData

Smile

C1CC2=C(C1)N(C(=O)C=C2)CC3=C(C=CC=C3Br)N

DOS

IR

Vibrations