Geometry & MOs

Info

ID:	35489
PubChem CID:	7979939
Reduced:	ClN2O6H15C17 (1)
Stoich.:	AB2C6D15E17 (1)
Weight, g/mol:	404.044296
ΔH_f, kcal/mol:	-117.37
Dipole, Da:	3.56
IP(EA), eV:	-8.78(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3,4-dichlorobenzoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations