Geometry & MOs

Info

ID:	35497
PubChem CID:	7979948
Reduced:	ClFO3N4H16C19 (1)
Stoich.:	ABC3D4E16F19 (1)
Weight, g/mol:	378.169191
ΔH_f, kcal/mol:	-85.36
Dipole, Da:	2.12
IP(EA), eV:	-9.22(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-4-oxo-N'-[(3R)-3-phenylbutanoyl]phthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CC3=C(C=CC=C3Cl)F

DOS

IR

Vibrations