Geometry & MOs

Info

ID:	182231
PubChem CID:	76861817
Reduced:	FON3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	452.184841
ΔH_f, kcal/mol:	-16.07
Dipole, Da:	2.37
IP(EA), eV:	-8.85(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-N'-[3-(3-phenylphenyl)prop-2-enoyl]-3-propylphthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

CN(C)C1=C(C=CC=N1)NC(=O)C=CC2=CC=C(C=C2)F

DOS

IR

Vibrations