Geometry & MOs

Info

ID:	212471
PubChem CID:	81060613
Reduced:	ClFN3H11C14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	232.132411
ΔH_f, kcal/mol:	12.71
Dipole, Da:	3.8
IP(EA), eV:	-9.27(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC2=C(C=CC(=C2)Cl)F

DOS

IR

Vibrations