Geometry & MOs

Info

ID:	30334
PubChem CID:	841152
Reduced:	ON4C18H24 (1)
Stoich.:	AB4C18D24 (1)
Weight, g/mol:	298.131742
ΔH_f, kcal/mol:	17.48
Dipole, Da:	2.52
IP(EA), eV:	-8.54(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethoxyphenyl)-3-[(5-methylpyridin-2-yl)amino]prop-2-en-1-one

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)C=NNC(=O)C2=CC=C(C=C2)C(C)(C)C)C

DOS

IR

Vibrations