Geometry & MOs

Info

ID:	139677
PubChem CID:	52578242
Reduced:	Cl2O2N4H22C23 (1)
Stoich.:	A2B2C4D22E23 (1)
Weight, g/mol:	458.206639
ΔH_f, kcal/mol:	-9.23
Dipole, Da:	2.51
IP(EA), eV:	-9.36(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-N'-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]-4-oxophthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)NCCNC(=O)C3=CC=C(C=C3)Cl)C4CC4)Cl

DOS

IR

Vibrations