Geometry & MOs

Info

ID:	299689
PubChem CID:	117688618
Reduced:	F2O2N6C17H20 (1)
Stoich.:	A2B2C6D17E20 (1)
Weight, g/mol:	485.196249
ΔH_f, kcal/mol:	-84.06
Dipole, Da:	3.9
IP(EA), eV:	-8.87(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethoxy)-5-[2-(3,3-difluoropyrrolidin-1-yl)-6-[3-[(3R)-3-fluoropyrrolidin-1-yl]azetidin-1-yl]pyrimidin-4-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

COC1CN(C1)C2=NC(=NC(=C2)C3=CC(=C(N=C3)N)OC(F)F)N4CCC4

DOS

IR

Vibrations