Geometry & MOs

Info

ID:	244551
PubChem CID:	99364917
Reduced:	O3N4H16C20 (1)
Stoich.:	A3B4C16D20 (1)
Weight, g/mol:	416.184841
ΔH_f, kcal/mol:	5.43
Dipole, Da:	2.01
IP(EA), eV:	-9.45(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-3-pentyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]phthalazine-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NO2)CNC(=O)CN3C=NC4=CC=CC=C4C3=O

DOS

IR

Vibrations