Geometry & MOs

Info

ID:	299686
PubChem CID:	117688581
Reduced:	OF2N5C16H17 (1)
Stoich.:	AB2C5D16E17 (1)
Weight, g/mol:	436.183458
ΔH_f, kcal/mol:	-46.41
Dipole, Da:	3.61
IP(EA), eV:	-9.17(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C1)C2=NC(=NC(=C2)C3=CC(=C(N=C3)N)OC(F)F)C4CC4

DOS

IR

Vibrations