Geometry & MOs

Info

ID:	332801
PubChem CID:	127251225
Reduced:	ON6C24H24 (1)
Stoich.:	AB6C24D24 (1)
Weight, g/mol:	428.196074
ΔH_f, kcal/mol:	77.21
Dipole, Da:	7.58
IP(EA), eV:	-8.48(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methoxyphenyl)-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CNC2=NNC3=C2C=CC(=N3)C4CCN(C4)C(=O)C5=CC=CC=C5

DOS

IR

Vibrations