Geometry & MOs

Info

ID:	191663
PubChem CID:	78174387
Reduced:	ClO3N4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	291.088688
ΔH_f, kcal/mol:	3.49
Dipole, Da:	10.79
IP(EA), eV:	-8.59(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-4H-pyridazin-3-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=NNC2=CN=NC(=O)C2Cl)OC

DOS

IR

Vibrations