Geometry & MOs

Info

ID:	289252
PubChem CID:	104341840
Reduced:	ON7C13H21 (1)
Stoich.:	AB7C13D21 (1)
Weight, g/mol:	293.185175
ΔH_f, kcal/mol:	26.78
Dipole, Da:	6.83
IP(EA), eV:	-9.0(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]-3-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CCNC1=CC(=NC(=N1)COC)NCCC2=NN=CN2C

DOS

IR

Vibrations