Geometry & MOs

Info

ID:	299720
PubChem CID:	117688840
Reduced:	O2F4N6C19H20 (1)
Stoich.:	A2B4C6D19E20 (1)
Weight, g/mol:	432.20853
ΔH_f, kcal/mol:	-209.39
Dipole, Da:	1.25
IP(EA), eV:	-9.05(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC1(F)F)C2=NC(=CC(=N2)N3C[C@H]4C[C@@H]3CO4)C5=CC(=C(N=C5)N)OC(F)F

DOS

IR

Vibrations