Geometry & MOs

Info

ID:	323169
PubChem CID:	126673197
Reduced:	O2N4H18C21 (1)
Stoich.:	A2B4C18D21 (1)
Weight, g/mol:	335.107005
ΔH_f, kcal/mol:	28.1
Dipole, Da:	3.12
IP(EA), eV:	-8.96(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[6-(3-fluorophenyl)-5H-imidazo[1,2-b]pyridazin-3-ylidene]-2-methoxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC(=C1)C2=NN3C(=NC=C3C4=CC=CC(=C4)CO)C=C2

DOS

IR

Vibrations