Geometry & MOs

Info

ID:	245275
PubChem CID:	99443242
Reduced:	FOSN5H18C21 (1)
Stoich.:	ABCD5E18F21 (1)
Weight, g/mol:	448.160751
ΔH_f, kcal/mol:	49.9
Dipole, Da:	3.22
IP(EA), eV:	-9.62(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carbonyl]-3-methyl-4-oxophthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

CCC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4

DOS

IR

Vibrations