Geometry & MOs

Info

ID:	58239
PubChem CID:	24434845
Reduced:	N2O2H12C13 (2)
Stoich.:	A2B2C12D13 (2)
Weight, g/mol:	455.159354
ΔH_f, kcal/mol:	-20.03
Dipole, Da:	4.26
IP(EA), eV:	-8.27(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-4-oxophthalazine-1-carboxamide

Drug info:

PubChemData

Smile

C/C(=N\NC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3)/C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations