Geometry & MOs

Info

ID:	168410
PubChem CID:	74965408
Reduced:	ON7C20H33 (1)
Stoich.:	AB7C20D33 (1)
Weight, g/mol:	463.305959
ΔH_f, kcal/mol:	-24.12
Dipole, Da:	6.02
IP(EA), eV:	-8.54(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-benzylpiperazin-1-yl)-6-[4-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NC=C(C(=N2)C)C3CC(=O)NC(N3)N4CCN(CC4)C

DOS

IR

Vibrations