Geometry & MOs

Info

ID:	319331
PubChem CID:	126655678
Reduced:	OCl2N3C32H35 (1)
Stoich.:	AB2C3D32E35 (1)
Weight, g/mol:	208.084792
ΔH_f, kcal/mol:	20.1
Dipole, Da:	3.31
IP(EA), eV:	-8.32(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(6-aminopyridin-2-yl)-3-oxopropanoate

Drug info:

PubChemData

Smile

CCCC(=O)N1CCC(CC1)C(=N)C2=C(C=CC(=C2)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)NC5CC5

DOS

IR

Vibrations