Geometry & MOs

Info

ID:	332796
PubChem CID:	127251220
Reduced:	FO2N4C25H25 (1)
Stoich.:	AB2C4D25E25 (1)
Weight, g/mol:	384.206245
ΔH_f, kcal/mol:	-35.24
Dipole, Da:	5.44
IP(EA), eV:	-8.32(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-benzylpyrrolidin-3-yl)-N-(pyridin-2-ylmethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine

Drug info:

PubChemData

Smile

CN1CCCC2=C1C=CC(=C2)C(=O)N3CCOC(C3)C4=NC=CN=C4C5=CC=CC=C5F

DOS

IR

Vibrations