Geometry & MOs

Info

ID:	169731
PubChem CID:	75142409
Reduced:	ClO3N6C24H37 (1)
Stoich.:	AB3C6D24E37 (1)
Weight, g/mol:	526.245917
ΔH_f, kcal/mol:	-112.85
Dipole, Da:	2.79
IP(EA), eV:	-8.3(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)N1CCN(CC1)C2NC(CC(=O)N2)CN3CCN(CC3)C4=C(C=CC(=C4)Cl)OC

DOS

IR

Vibrations