Geometry & MOs

Info

ID:	442593
PubChem CID:	135253189
Reduced:	ClO2N6H19C20 (1)
Stoich.:	AB2C6D19E20 (1)
Weight, g/mol:	414.076265
ΔH_f, kcal/mol:	50.2
Dipole, Da:	9.35
IP(EA), eV:	-8.52(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(5-methyl-4H-pyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C1)CN2C3=NC=C(C(=C3C(=N2)C)Cl)C(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations