Geometry & MOs

Info

ID:	332856
PubChem CID:	127251280
Reduced:	O3N5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	449.24269
ΔH_f, kcal/mol:	-23.0
Dipole, Da:	8.39
IP(EA), eV:	-8.74(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)-[3-[3-(oxan-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC(=O)N2CCC(C2)C3=NC4=NNC(=C4C=C3)N)OC

DOS

IR

Vibrations