Geometry & MOs

Info

ID:	443882
PubChem CID:	135260277
Reduced:	ON9C31H35 (1)
Stoich.:	AB9C31D35 (1)
Weight, g/mol:	419.149458
ΔH_f, kcal/mol:	126.16
Dipole, Da:	7.37
IP(EA), eV:	-8.19(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-5-(5-methoxypyridin-3-yl)-3-(4-pyridin-2-ylpyrrolo[3,2-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[4,3-b]pyridine

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6=CC(=CN=C6)NC(=O)CC7CCCCC7)NN4)/C=C32

DOS

IR

Vibrations