Geometry & MOs

Info

ID:	245279
PubChem CID:	99443246
Reduced:	ClOSN5H16C20 (1)
Stoich.:	ABCD5E16F20 (1)
Weight, g/mol:	416.123303
ΔH_f, kcal/mol:	81.19
Dipole, Da:	8.07
IP(EA), eV:	-9.28(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-oxo-N'-(6-oxo-1-phenylpyridazine-3-carbonyl)phthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4

DOS

IR

Vibrations