Geometry & MOs

Info

ID:	212233
PubChem CID:	81059895
Reduced:	NC4H6 (4)
Stoich.:	AB4C6 (4)
Weight, g/mol:	247.132077
ΔH_f, kcal/mol:	19.79
Dipole, Da:	3.61
IP(EA), eV:	-8.9(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3-cyano-2,6-dimethylpyridin-4-yl)-methylamino]acetate

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)NC2=C(C(=NC(=C2)C)C)C#N

DOS

IR

Vibrations