Geometry & MOs

Info

ID:	35468
PubChem CID:	7979913
Reduced:	FCl2N2O4H11C15 (1)
Stoich.:	AB2C2D4E11F15 (1)
Weight, g/mol:	394.164105
ΔH_f, kcal/mol:	-105.27
Dipole, Da:	4.31
IP(EA), eV:	-9.2(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-N'-[3-(2-methylphenoxy)propanoyl]-4-oxophthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=C(C=C1)F)Cl)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations