Geometry & MOs

Info

ID:	442565
PubChem CID:	135253058
Reduced:	ClON5C22H26 (1)
Stoich.:	ABC5D22E26 (1)
Weight, g/mol:	397.166938
ΔH_f, kcal/mol:	14.55
Dipole, Da:	2.52
IP(EA), eV:	-8.63(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-(1-ethylpiperidin-4-yl)-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CCN1CCC(CC1)N2C3=NC=C(C(=C3C(=N2)C)Cl)C(=O)NC4=CC=C(C=C4)C

DOS

IR

Vibrations