Geometry & MOs

Info

ID:	332872
PubChem CID:	127251296
Reduced:	O2N5C26H27 (1)
Stoich.:	A2B5C26D27 (1)
Weight, g/mol:	442.211724
ΔH_f, kcal/mol:	29.87
Dipole, Da:	3.4
IP(EA), eV:	-8.52(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCC(C2)C3=NC4=C(C=C3)C(=NN4)NCC5=CC=CC=C5)OC

DOS

IR

Vibrations