Geometry & MOs

Info

ID:	442620
PubChem CID:	135253406
Reduced:	ON3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	416.117067
ΔH_f, kcal/mol:	14.69
Dipole, Da:	8.06
IP(EA), eV:	-9.29(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(4-chlorophenyl)-1-(cyclohexylmethyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN=C(N1CC2=CC=C(C=C2)OC)C

DOS

IR

Vibrations