Geometry & MOs

Info

ID:	289175
PubChem CID:	104338714
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	279.169525
ΔH_f, kcal/mol:	-2.22
Dipole, Da:	3.52
IP(EA), eV:	-8.41(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCCNC1=CC(=NC(=N1)COC)NC2=CC=C(C=C2)C

DOS

IR

Vibrations