Geometry & MOs

Info

ID:	35494
PubChem CID:	7979945
Reduced:	ClNO3H16C19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	386.13789
ΔH_f, kcal/mol:	-71.68
Dipole, Da:	2.57
IP(EA), eV:	-8.73(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-N'-(naphthalene-2-carbonyl)-4-oxophthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)C1=CC=C(C=C1)Cl)OC(=O)CC2=CNC3=CC=CC=C32

DOS

IR

Vibrations