Geometry & MOs

Info

ID:	299707
PubChem CID:	117688758
Reduced:	FON3C10H12 (2)
Stoich.:	ABC3D10E12 (2)
Weight, g/mol:	389.166331
ΔH_f, kcal/mol:	-94.32
Dipole, Da:	3.35
IP(EA), eV:	-8.87(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1CCNC2=NC(=CC(=N2)N3C[C@@H]4C[C@H]3CO4)C5=CC(=C(N=C5)N)OC(F)F

DOS

IR

Vibrations