Geometry & MOs

Info

ID:	358370
PubChem CID:	127295915
Reduced:	NOC5H9 (3)
Stoich.:	ABC5D9 (3)
Weight, g/mol:	347.232125
ΔH_f, kcal/mol:	-144.92
Dipole, Da:	5.81
IP(EA), eV:	-9.19(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[methyl(oxan-3-ylmethyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(=O)CN(C)CC2CCCOC2

DOS

IR

Vibrations