Geometry & MOs

Info

ID:	299711
PubChem CID:	117688775
Reduced:	F2O2N6C19H22 (1)
Stoich.:	A2B2C6D19E22 (1)
Weight, g/mol:	418.19288
ΔH_f, kcal/mol:	-106.92
Dipole, Da:	3.99
IP(EA), eV:	-8.67(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-cyclopropyl-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC(=CC(=N2)N3C[C@@H]4C[C@H]3CO4)C5=CC(=C(N=C5)N)OC(F)F

DOS

IR

Vibrations