Geometry & MOs

Info

ID:	126650
PubChem CID:	50971906
Reduced:	ON4C13H24 (1)
Stoich.:	AB4C13D24 (1)
Weight, g/mol:	357.216475
ΔH_f, kcal/mol:	-22.68
Dipole, Da:	4.27
IP(EA), eV:	-8.72(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperazin-1-yl]-6-methylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(C)CC(C)N2CCOCC2

DOS

IR

Vibrations