Geometry & MOs

Info

ID:	79776
PubChem CID:	49830314
Reduced:	F3N5H14C19 (1)
Stoich.:	A3B5C14D19 (1)
Weight, g/mol:	316.109089
ΔH_f, kcal/mol:	-42.63
Dipole, Da:	3.61
IP(EA), eV:	-8.84(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-yl]amino]-2-methylpropan-2-ol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC2=NC=CC(=N2)C3=CNC4=C3C=CC=N4)C(F)(F)F

DOS

IR

Vibrations