Geometry & MOs

Info

ID:	287561
PubChem CID:	104247158
Reduced:	ClON2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	236.116092
ΔH_f, kcal/mol:	1.56
Dipole, Da:	5.3
IP(EA), eV:	-9.1(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)-3-hydroxypropanoate

Drug info:

PubChemData

Smile

C1CC2=C(C1)N=C(C=C2)OC3=C(C(=CC=C3)Cl)CN

DOS

IR

Vibrations