Geometry & MOs

Info

ID:	403047
PubChem CID:	135058517
Reduced:	N3H19C23 (1)
Stoich.:	A3B19C23 (1)
Weight, g/mol:	272.035255
ΔH_f, kcal/mol:	145.34
Dipole, Da:	4.93
IP(EA), eV:	-8.98(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-(4-chloro-2H-phthalazin-1-ylidene)-3-hydroxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CN(N=N2)CC=C(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations