Geometry & MOs

Info

ID:	19686
PubChem CID:	570370
Reduced:	O2N5H15C23 (1)
Stoich.:	A2B5C15D23 (1)
Weight, g/mol:	393.122575
ΔH_f, kcal/mol:	121.05
Dipole, Da:	6.91
IP(EA), eV:	-9.18(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzotriazol-1-yl)-6-benzoyl-2-phenylpyridazin-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2=NN(C(=O)C(=C2)N3C4=CC=CC=C4N=N3)C5=CC=CC=C5

DOS

IR

Vibrations