Geometry & MOs

Info

ID:	308890
PubChem CID:	126531789
Reduced:	ON7H27C29 (1)
Stoich.:	AB7C27D29 (1)
Weight, g/mol:	378.122909
ΔH_f, kcal/mol:	171.34
Dipole, Da:	9.64
IP(EA), eV:	-8.57(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)CNCC2=CC(=CN=C2)C3=NC\4=C(C=C3)NN/C4=C/5\C=C6C(=N5)C=CN=C6C7=COC=C7

DOS

IR

Vibrations