Geometry & MOs

Info

ID:	56566
PubChem CID:	17436351
Reduced:	OS2N3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	291.121906
ΔH_f, kcal/mol:	-7.58
Dipole, Da:	5.86
IP(EA), eV:	-8.97(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1C)SCC(=O)NC(C)C2=CC=CS2)C

DOS

IR

Vibrations