Geometry & MOs

Info

ID:	337358
PubChem CID:	127257043
Reduced:	SN2O2C11H16 (1)
Stoich.:	AB2C2D11E16 (1)
Weight, g/mol:	234.173213
ΔH_f, kcal/mol:	-37.85
Dipole, Da:	5.54
IP(EA), eV:	-8.12(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[(hexylamino)methylidene]-2,5-dimethylpyridin-3-one

Drug info:

PubChemData

Smile

CCN/C=C\1/C(=CN=C(C1=O)C)CS(=O)C

DOS

IR

Vibrations