Geometry & MOs

Info

ID:	449303
PubChem CID:	135297496
Reduced:	ON8H22C27 (1)
Stoich.:	AB8C22D27 (1)
Weight, g/mol:	417.170194
ΔH_f, kcal/mol:	175.15
Dipole, Da:	10.34
IP(EA), eV:	-8.54(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-7-(3-methylphenyl)-2-[5-(4-methylpyridin-3-yl)-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]imidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

CCC(=O)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C\4/N=C5C(=CC=NC5=N4)C6=CC=CC(=C6)C

DOS

IR

Vibrations