Geometry & MOs

Info

ID:	35496
PubChem CID:	7979947
Reduced:	NOC5H5 (4)
Stoich.:	ABC5D5 (4)
Weight, g/mol:	402.089496
ΔH_f, kcal/mol:	-73.22
Dipole, Da:	2.45
IP(EA), eV:	-8.9(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(2-chloro-6-fluorophenyl)acetyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations