Geometry & MOs

Info

ID:	122918
PubChem CID:	50826670
Reduced:	ClO2N6C28H29 (1)
Stoich.:	AB2C6D28E29 (1)
Weight, g/mol:	502.224787
ΔH_f, kcal/mol:	3.21
Dipole, Da:	3.82
IP(EA), eV:	-8.66(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-chlorophenyl)methylamino]-3-methyl-1-phenyl-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C2=NC=C(C(=C12)NCC3=CC=C(C=C3)Cl)C(=O)NCCCN4CCCC4=O)C5=CC=CC=C5

DOS

IR

Vibrations