Geometry & MOs

Info

ID:	332860
PubChem CID:	127251284
Reduced:	O3N6C22H26 (1)
Stoich.:	A3B6C22D26 (1)
Weight, g/mol:	448.202302
ΔH_f, kcal/mol:	-45.83
Dipole, Da:	6.88
IP(EA), eV:	-8.72(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-fluoro-1H-indol-2-yl)-[3-[3-(oxan-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C=CC1=O)C(=O)N2CCC(C2)C3=NC4=C(C=C3)C(=NN4)NC5CCOCC5

DOS

IR

Vibrations