Geometry & MOs

Info

ID:	308995
PubChem CID:	126533731
Reduced:	FO2N8H27C31 (1)
Stoich.:	AB2C8D27E31 (1)
Weight, g/mol:	519.11312
ΔH_f, kcal/mol:	60.66
Dipole, Da:	3.9
IP(EA), eV:	-8.96(-2.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-iodo-5-[5-(piperidin-1-ylmethyl)pyridin-3-yl]pyrazolo[4,3-b]pyridine-1-carboxylate

Drug info:

PubChemData

Smile

C1CNCCC1CC(=O)NC2=CN=CC(=C2)C3=CC\4=C(NN/C4=C/5\C=C6C(=CN=CC6=N5)C7=CC(=CC(=C7)F)O)N=C3

DOS

IR

Vibrations