Geometry & MOs

Info

ID:	333569
PubChem CID:	127252121
Reduced:	O2N5C17H21 (1)
Stoich.:	A2B5C17D21 (1)
Weight, g/mol:	327.169525
ΔH_f, kcal/mol:	-16.28
Dipole, Da:	4.58
IP(EA), eV:	-9.26(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-1-[3-[2-[(5-methylpyridin-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)NC2=NC=CC(=N2)C3CCN(C3)C(=O)COC

DOS

IR

Vibrations