Geometry & MOs

Info

ID:	271920
PubChem CID:	103700419
Reduced:	OSN3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	287.120467
ΔH_f, kcal/mol:	-7.23
Dipole, Da:	5.09
IP(EA), eV:	-8.57(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CC1=C(N2C=CSC2=N1)CNC3CCCC3CO

DOS

IR

Vibrations