Geometry & MOs

Info

ID:	447643
PubChem CID:	135284416
Reduced:	ClFN3O3C24H31 (1)
Stoich.:	ABC3D3E24F31 (1)
Weight, g/mol:	356.20124
ΔH_f, kcal/mol:	-175.74
Dipole, Da:	4.3
IP(EA), eV:	-8.76(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[2-fluoro-4-(1-methylpyrazolo[3,4-b]pyridin-4-yl)phenoxy]-2,4-dimethylpentan-2-amine

Drug info:

PubChemData

Smile

CC(C)C[C@@](C)(COC1=C(C=C(C=C1)C2=CC(=NC=C2)NC3CCC(C3)F)Cl)NC(=O)O

DOS

IR

Vibrations