Geometry & MOs

Info

ID:	34960
PubChem CID:	7979137
Reduced:	NSO6H19C20 (1)
Stoich.:	ABC6D19E20 (1)
Weight, g/mol:	399.133139
ΔH_f, kcal/mol:	-182.99
Dipole, Da:	3.97
IP(EA), eV:	-9.27(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-4-oxo-N'-(pyridine-2-carbonyl)phthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(O1)COC(=O)[C@@H]2CS[C@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations