Geometry & MOs

Info

ID:	340468
PubChem CID:	127262479
Reduced:	ON4H12C15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	315.98474
ΔH_f, kcal/mol:	74.01
Dipole, Da:	5.75
IP(EA), eV:	-9.03(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-2,3-dihydrophthalazin-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NNC(=O)C2=CN=C3C(=C2)C=CC=N3

DOS

IR

Vibrations