Geometry & MOs

Info

ID:	68453
PubChem CID:	46508437
Reduced:	NO3H15C20 (1)
Stoich.:	AB3C15D20 (1)
Weight, g/mol:	476.13184
ΔH_f, kcal/mol:	-25.95
Dipole, Da:	3.72
IP(EA), eV:	-8.41(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)NC(=O)/C=C/C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations