Geometry & MOs

Info

ID:	48360
PubChem CID:	10539191
Reduced:	NO4H13C14 (1)
Stoich.:	AB4C13D14 (1)
Weight, g/mol:	259.106925
ΔH_f, kcal/mol:	-135.71
Dipole, Da:	1.64
IP(EA), eV:	-8.6(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-5-(hydroxymethyl)-2-methyl-4-[(2-pyrimidin-2-ylhydrazinyl)methylidene]pyridin-3-one

Drug info:

PubChemData

Smile

CO/C(=C/1\C(=O)C2=CC=CC3=C2N(C1=O)CCC3)/O

DOS

IR

Vibrations