Geometry & MOs

Info

ID:	436495
PubChem CID:	135204455
Reduced:	FO4N9C31H38 (1)
Stoich.:	AB4C9D31E38 (1)
Weight, g/mol:	469.259009
ΔH_f, kcal/mol:	-83.06
Dipole, Da:	10.53
IP(EA), eV:	-8.3(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[[5-[3-(pyrrolidin-3-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yl]pyridin-2-yl]methyl]benzamide

Drug info:

PubChemData

Smile

C[C@H]1CC[C@H](CN1C(=O)N2CCOCC2)NC3=NNC4=NC=CC(=C43)C5=CC(=C(C=C5)CNC(=O)C6=NOC(=N6)C(C)(C)C)F

DOS

IR

Vibrations