Geometry & MOs

Info

ID:	442621
PubChem CID:	135253408
Reduced:	OCl2N4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	307.108754
ΔH_f, kcal/mol:	2.7
Dipole, Da:	5.1
IP(EA), eV:	-8.91(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-(cyclohexylmethyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NN(C2=NC=C(C(=C12)Cl)C(=O)NC3=CC=C(C=C3)Cl)CC4CCCCC4

DOS

IR

Vibrations