Geometry & MOs

Info

ID:	212615
PubChem CID:	81061202
Reduced:	ON3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	219.100777
ΔH_f, kcal/mol:	29.4
Dipole, Da:	3.61
IP(EA), eV:	-9.24(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3-cyano-2,6-dimethylpyridin-4-yl)amino]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC2=CC=CC=C2OC

DOS

IR

Vibrations