Geometry & MOs

Info

ID:	212359
PubChem CID:	81060265
Reduced:	ClN3O3H10C14 (1)
Stoich.:	AB3C3D10E14 (1)
Weight, g/mol:	246.148061
ΔH_f, kcal/mol:	28.35
Dipole, Da:	7.34
IP(EA), eV:	-10.31(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)OC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations