Geometry & MOs

Info

ID:	58241
PubChem CID:	24434851
Reduced:	O3N5H19C25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	426.132805
ΔH_f, kcal/mol:	29.88
Dipole, Da:	2.61
IP(EA), eV:	-8.91(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-[(3-benzyl-4-oxophthalazine-1-carbonyl)hydrazinylidene]methyl]benzoic acid

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2/C(=N/NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)/C1=O

DOS

IR

Vibrations