Geometry & MOs

Info

ID:	299694
PubChem CID:	117688655
Reduced:	OF4N6C20H22 (1)
Stoich.:	AB4C6D20E22 (1)
Weight, g/mol:	501.191164
ΔH_f, kcal/mol:	-182.93
Dipole, Da:	3.42
IP(EA), eV:	-8.82(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@]1(CCN(C1)C2=NC(=CC(=N2)N3C[C@@H]4C[C@H]3CO4)C5=CC(=C(N=C5)N)C(F)(F)F)F

DOS

IR

Vibrations