Geometry & MOs

Info

ID:	340470
PubChem CID:	127262481
Reduced:	NOH8C12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	268.084792
ΔH_f, kcal/mol:	63.81
Dipole, Da:	1.62
IP(EA), eV:	-8.8(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3/C(=C/4\C=CC(=O)C5=CC=CC=C45)/N2

DOS

IR

Vibrations