Geometry & MOs

Info

ID:	212645
PubChem CID:	81061296
Reduced:	ON3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	280.132411
ΔH_f, kcal/mol:	-3.96
Dipole, Da:	5.33
IP(EA), eV:	-9.11(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(3-cyano-2,6-dimethylpyridin-4-yl)amino]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NCCOC

DOS

IR

Vibrations