Geometry & MOs

Info

ID:	398951
PubChem CID:	135036536
Reduced:	BrON4H13C21 (1)
Stoich.:	ABC4D13E21 (1)
Weight, g/mol:	208.084792
ΔH_f, kcal/mol:	122.13
Dipole, Da:	2.65
IP(EA), eV:	-9.91(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[(2,2-dihydroxyethenylamino)methylidene]-2,5-dimethylpyridin-3-one

Drug info:

PubChemData

Smile

C1CN2C(=N1)C=C([C@](C2=O)(C#N)C3=CC=CC=C3C#N)C4=CC(=CC=C4)Br

DOS

IR

Vibrations