Geometry & MOs

Info

ID:	299204
PubChem CID:	117679194
Reduced:	OF3N8C20H25 (1)
Stoich.:	AB3C8D20E25 (1)
Weight, g/mol:	417.122416
ΔH_f, kcal/mol:	-127.28
Dipole, Da:	2.93
IP(EA), eV:	-8.46(-0.64)
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-(2,2,2-trifluoroethyl)pyrimidin-4-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

CC(=O)NC1CCN(C1)C2=NC(=NC3=C2N=CN3CC4=C(NN=C4)C(F)(F)F)C(C)(C)C

DOS

IR

Vibrations