Geometry & MOs

Info

ID:	169733
PubChem CID:	75142411
Reduced:	ClFO3N6C27H34 (1)
Stoich.:	ABC3D6E27F34 (1)
Weight, g/mol:	540.261567
ΔH_f, kcal/mol:	-117.25
Dipole, Da:	4.51
IP(EA), eV:	-8.32(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]methyl]-2-[4-(2-phenylacetyl)piperazin-1-yl]-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC3CC(=O)NC(N3)N4CCN(CC4)C(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations