Geometry & MOs

Info

ID:	308725
PubChem CID:	126522421
Reduced:	FON9C33H34 (1)
Stoich.:	ABC9D33E34 (1)
Weight, g/mol:	412.181173
ΔH_f, kcal/mol:	123.25
Dipole, Da:	9.71
IP(EA), eV:	-8.57(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CCNC1=CC(=CC(=C1)C2=CC=NC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6=CC(=CN=C6)OC7CCNCC7)/C=C23)F

DOS

IR

Vibrations