Geometry & MOs

Info

ID:	323147
PubChem CID:	126672930
Reduced:	O2N3H17C20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	361.106256
ΔH_f, kcal/mol:	40.22
Dipole, Da:	5.19
IP(EA), eV:	-8.68(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=NN3C(=NC=C3C4=CC=C(C=C4)CO)C=C2

DOS

IR

Vibrations