Geometry & MOs

Info

ID:	333568
PubChem CID:	127252120
Reduced:	OF3N7H16C19 (1)
Stoich.:	AB3C7D16E19 (1)
Weight, g/mol:	327.169525
ΔH_f, kcal/mol:	-76.48
Dipole, Da:	2.33
IP(EA), eV:	-9.29(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC1C2=NC(=NC=C2)NC3=NC=CC(=C3)C(F)(F)F)C(=O)C4=NC=CN=C4

DOS

IR

Vibrations