Geometry & MOs

Info

ID:	367724
PubChem CID:	127325684
Reduced:	SN3O3C18H27 (1)
Stoich.:	AB3C3D18E27 (1)
Weight, g/mol:	391.237211
ΔH_f, kcal/mol:	-110.37
Dipole, Da:	5.79
IP(EA), eV:	-8.44(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,1,3-trimethyl-N-[(1-methylpiperidin-3-yl)methyl]-6-phenylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCCC(C1)CN(C)C(=O)C2=CC(=CC=C2)N3CCCS3(=O)=O

DOS

IR

Vibrations