Geometry & MOs

Info

ID:	133900
PubChem CID:	51610702
Reduced:	SN4O4C24H36 (1)
Stoich.:	AB4C4D24E36 (1)
Weight, g/mol:	274.001944
ΔH_f, kcal/mol:	-167.15
Dipole, Da:	6.32
IP(EA), eV:	-8.73(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

8-chloro-10-oxopyridazino[6,1-b]quinazoline-2-carboxylate

Drug info:

PubChemData

Smile

CC1CCCCC1N2C(=O)C3CCCCC3N4C2=NN=C4SCC(=O)C5CCC(CC5O)O

DOS

IR

Vibrations