Geometry & MOs

Info

ID:	333540
PubChem CID:	127252092
Reduced:	F3N5C17H20 (1)
Stoich.:	A3B5C17D20 (1)
Weight, g/mol:	297.15896
ΔH_f, kcal/mol:	-99.39
Dipole, Da:	1.88
IP(EA), eV:	-8.77(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-[(3-methylpyridin-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)N1CCC(C1)C2=NC(=NC=C2)NC3=NC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations