Geometry & MOs

Info

ID:	30403
PubChem CID:	841258
Reduced:	ON4C19H24 (1)
Stoich.:	AB4C19D24 (1)
Weight, g/mol:	280.157563
ΔH_f, kcal/mol:	19.76
Dipole, Da:	3.8
IP(EA), eV:	-8.65(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(2,3-dimethylanilino)-1-pyridin-3-ylpent-2-en-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC(=O)C3CCCCC3

DOS

IR

Vibrations