Geometry & MOs

Info

ID:	332812
PubChem CID:	127251236
Reduced:	O2N5C19H27 (1)
Stoich.:	A2B5C19D27 (1)
Weight, g/mol:	403.237211
ΔH_f, kcal/mol:	-43.47
Dipole, Da:	4.77
IP(EA), eV:	-8.68(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[3-(benzylamino)-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidin-1-yl]-cyclohexylmethanone

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCC(C1)C2=NC3=C(C=C2)C(=NN3)NC4CCOCC4

DOS

IR

Vibrations