Geometry & MOs

Info

ID:	58254
PubChem CID:	24434873
Reduced:	N4O4H22C25 (1)
Stoich.:	A4B4C22D25 (1)
Weight, g/mol:	426.169191
ΔH_f, kcal/mol:	-20.33
Dipole, Da:	4.97
IP(EA), eV:	-8.39(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-N'-[(1E)-1-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]-4-oxophthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

C/C(=C/1\C=C(C=CC1=O)OC)/NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

DOS

IR

Vibrations