Geometry & MOs

Info

ID:	357056
PubChem CID:	127293125
Reduced:	O2N3C19H31 (1)
Stoich.:	A2B3C19D31 (1)
Weight, g/mol:	385.247775
ΔH_f, kcal/mol:	-98.52
Dipole, Da:	4.13
IP(EA), eV:	-8.91(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCC(C2)NC(=O)C3CCCN(C3)C(=O)C4CC4

DOS

IR

Vibrations