Geometry & MOs

Info

ID:	35485
PubChem CID:	7979935
Reduced:	N2Cl3O4H11C15 (1)
Stoich.:	A2B3C4D11E15 (1)
Weight, g/mol:	404.109625
ΔH_f, kcal/mol:	-68.06
Dipole, Da:	4.63
IP(EA), eV:	-9.15(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-4-oxo-N'-[4-(trifluoromethyl)benzoyl]phthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C=CC(=C1)Cl)Cl)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations