Geometry & MOs

Info

ID:	169882
PubChem CID:	75160920
Reduced:	ClN3O3C12H14 (1)
Stoich.:	AB3C3D12E14 (1)
Weight, g/mol:	526.399525
ΔH_f, kcal/mol:	-93.45
Dipole, Da:	7.2
IP(EA), eV:	-9.96(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-2-(4-nonanoylpiperazin-1-yl)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C2NC(=O)C(NN2)CCC(=O)O

DOS

IR

Vibrations