Geometry & MOs

Info

ID:	35479
PubChem CID:	7979929
Reduced:	ClN3O4H12C16 (1)
Stoich.:	AB3C4D12E16 (1)
Weight, g/mol:	394.164105
ΔH_f, kcal/mol:	-18.03
Dipole, Da:	7.03
IP(EA), eV:	-9.44(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-4-oxo-N'-(4-phenoxybutanoyl)phthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations