Geometry & MOs

Info

ID:	299719
PubChem CID:	117688836
Reduced:	F2O2N6C19H22 (1)
Stoich.:	A2B2C6D19E22 (1)
Weight, g/mol:	440.158387
ΔH_f, kcal/mol:	-106.76
Dipole, Da:	3.04
IP(EA), eV:	-8.65(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethoxy)-5-[2-(3,3-difluoropyrrolidin-1-yl)-6-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC(=CC(=N2)N3C[C@H]4C[C@@H]3CO4)C5=CC(=C(N=C5)N)OC(F)F

DOS

IR

Vibrations