Geometry & MOs

Info

ID:	308927
PubChem CID:	126531882
Reduced:	FON7H18C24 (1)
Stoich.:	ABC7D18E24 (1)
Weight, g/mol:	396.155941
ΔH_f, kcal/mol:	114.85
Dipole, Da:	3.26
IP(EA), eV:	-8.58(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-4-(4-methylimidazol-1-yl)-2-[5-(1-methylpyrazol-4-yl)-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]imidazo[4,5-c]pyridine

Drug info:

PubChemData

Smile

CC1=NC=C(N1C)C2=NC\3=C(C=C2)NN/C3=C/4\C=C5C(=N4)C=CN=C5C6=CC(=CC(=C6)F)O

DOS

IR

Vibrations