Geometry & MOs

Info

ID:	361064
PubChem CID:	127301954
Reduced:	SN3O3C19H29 (1)
Stoich.:	AB3C3D19E29 (1)
Weight, g/mol:	373.247775
ΔH_f, kcal/mol:	-120.0
Dipole, Da:	4.24
IP(EA), eV:	-8.55(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethylpiperidin-2-yl)methyl]-3-(1,3,4-trimethyl-6-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide

Drug info:

PubChemData

Smile

CCN1CCCCC1CNC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations