Geometry & MOs

Info

ID:	83694
PubChem CID:	49860211
Reduced:	ClO2N5C23H32 (1)
Stoich.:	AB2C5D23E32 (1)
Weight, g/mol:	471.22887
ΔH_f, kcal/mol:	14.25
Dipole, Da:	1.57
IP(EA), eV:	-8.54(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione;hydrochloride

Drug info:

PubChemData

Smile

C1CC2C=CC(C1)C3C2C(=O)N(C3=O)CCCCN4CCN(CC4)C5=NC=CC=N5.Cl

DOS

IR

Vibrations