Geometry & MOs

Info

ID:	58252
PubChem CID:	24434870
Reduced:	N4O4H26C27 (1)
Stoich.:	A4B4C26D27 (1)
Weight, g/mol:	485.206304
ΔH_f, kcal/mol:	-21.92
Dipole, Da:	4.2
IP(EA), eV:	-8.28(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (5Z)-5-[1-[2-(3-benzyl-4-oxophthalazine-1-carbonyl)hydrazinyl]ethylidene]-2,4-dimethylpyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)/C=N/NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)OC

DOS

IR

Vibrations