Geometry & MOs

Info

ID:	299690
PubChem CID:	117688633
Reduced:	OF5N7C21H24 (1)
Stoich.:	AB5C7D21E24 (1)
Weight, g/mol:	377.166331
ΔH_f, kcal/mol:	-218.06
Dipole, Da:	3.14
IP(EA), eV:	-8.95(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethoxy)-5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-propan-2-ylpyrimidin-4-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1F)C2CN(C2)C3=NC(=NC(=C3)C4=CC(=C(N=C4)N)OC(F)F)N5CCC(C5)(F)F

DOS

IR

Vibrations