Geometry & MOs

Info

ID:	332808
PubChem CID:	127251232
Reduced:	N3C11H15 (2)
Stoich.:	A3B11C15 (2)
Weight, g/mol:	449.206304
ΔH_f, kcal/mol:	66.92
Dipole, Da:	3.52
IP(EA), eV:	-8.41(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1,4-benzodioxin-6-yl-[3-[3-(oxan-4-ylamino)-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)CC(C)(C)C

DOS

IR

Vibrations