Geometry & MOs

Info

ID:	165998
PubChem CID:	74623792
Reduced:	O2C11H12 (2)
Stoich.:	A2B11C12 (2)
Weight, g/mol:	406.260686
ΔH_f, kcal/mol:	-132.12
Dipole, Da:	4.39
IP(EA), eV:	-9.1(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(1-benzylpyrrolidin-1-ium-3-yl)-3-(1,3,4,6-tetramethylpyrazolo[3,4-b]pyridin-5-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1COC(=O)C=CC2=CC=CC=C2OC)C)C(=O)C)C

DOS

IR

Vibrations