Geometry & MOs

Info

ID:	449306
PubChem CID:	135297521
Reduced:	ON8H28C31 (1)
Stoich.:	AB8C28D31 (1)
Weight, g/mol:	404.149793
ΔH_f, kcal/mol:	161.92
Dipole, Da:	9.15
IP(EA), eV:	-8.47(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CC=NC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CC(=CN=C6)NC(=O)C7CCCCC7)NN4)/N=C23

DOS

IR

Vibrations