Geometry & MOs

Info

ID:	169883
PubChem CID:	75161455
Reduced:	ON3C15H25 (2)
Stoich.:	AB3C15D25 (2)
Weight, g/mol:	514.326754
ΔH_f, kcal/mol:	-109.31
Dipole, Da:	2.69
IP(EA), eV:	-8.34(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[4-[4-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-6-oxo-1,3-diazinan-2-yl]piperazin-1-yl]-4-oxobutanoate

Drug info:

PubChemData

Smile

CCCCCCCCC(=O)N1CCN(CC1)C2NC(CC(=O)N2)CN3CCN(CC3)C4=CC(=C(C=C4)C)C

DOS

IR

Vibrations