Geometry & MOs

Info

ID:	35500
PubChem CID:	7979954
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	412.120526
ΔH_f, kcal/mol:	-89.54
Dipole, Da:	2.16
IP(EA), eV:	-9.18(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-N'-(2-methoxy-4-methylsulfanylbenzoyl)-4-oxophthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CCCC3CCCCC3

DOS

IR

Vibrations