Geometry & MOs

Info

ID:	54730
PubChem CID:	17389170
Reduced:	ON2H7C8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	279.052302
ΔH_f, kcal/mol:	40.68
Dipole, Da:	3.4
IP(EA), eV:	-8.97(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[[2-(4-amino-6-chloropyrimidin-2-yl)hydrazinyl]methylidene]-3-hydroxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C(=O)NN/C=C\2/C(=O)C=CC3=CC=CC=C32

DOS

IR

Vibrations