Geometry & MOs

Info

ID:	437215
PubChem CID:	135216048
Reduced:	FO2N8C25H29 (1)
Stoich.:	AB2C8D25E29 (1)
Weight, g/mol:	472.275073
ΔH_f, kcal/mol:	15.43
Dipole, Da:	6.02
IP(EA), eV:	-8.62(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[[(4-tert-butylphenyl)methylamino]methyl]-3-fluorophenyl]-N-[(3R)-pyrrolidin-3-yl]-1H-pyrazolo[3,4-b]pyridin-3-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=NO1)CNCC2=C(C=C(C=C2)C3=C4C(=NC=C3)NN=C4N[C@H]5CCN(C5)C=O)F

DOS

IR

Vibrations