Geometry & MOs

Info

ID:	305834
PubChem CID:	124971198
Reduced:	N4O4C17H20 (1)
Stoich.:	A4B4C17D20 (1)
Weight, g/mol:	298.154209
ΔH_f, kcal/mol:	-132.02
Dipole, Da:	4.38
IP(EA), eV:	-8.17(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCN(C[C@@H]1C(=O)N)C(=O)C2=CC3=C(N2)C=CC=C3OC

DOS

IR

Vibrations