Geometry & MOs

Info

ID:	361131
PubChem CID:	127302047
Reduced:	ClON6C16H21 (1)
Stoich.:	ABC6D16E21 (1)
Weight, g/mol:	388.258674
ΔH_f, kcal/mol:	40.95
Dipole, Da:	3.47
IP(EA), eV:	-8.33(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[3,4-b]pyridin-5-yl)propanamide

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)C2=CN(N=N2)C3=CC=CC=C3Cl)C

DOS

IR

Vibrations