Geometry & MOs

Info

ID:	299712
PubChem CID:	117688784
Reduced:	FON3C10H12 (2)
Stoich.:	ABC3D10E12 (2)
Weight, g/mol:	481.221321
ΔH_f, kcal/mol:	-83.28
Dipole, Da:	1.8
IP(EA), eV:	-9.08(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethoxy)-5-[2-(3,3-difluoropyrrolidin-1-yl)-6-(3-piperidin-1-ylazetidin-1-yl)pyrimidin-4-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1CC1C2=NC(=CC(=N2)N3CC(C3)N4CCOCC4)C5=CC(=C(N=C5)N)OC(F)F

DOS

IR

Vibrations