Geometry & MOs

Info

ID:	151576
PubChem CID:	53837810
Reduced:	NO4C22H23 (1)
Stoich.:	AB4C22D23 (1)
Weight, g/mol:	504.310041
ΔH_f, kcal/mol:	-100.74
Dipole, Da:	1.89
IP(EA), eV:	-8.65(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylpiperazin-1-yl)-1-[8-[4-(4-methylpiperazin-1-yl)butanoyl]dibenzofuran-2-yl]butan-1-one

Drug info:

PubChemData

Smile

CN1CCCC(C1)C2=CC=CC(=C2)C3=C(C(=O)C4=C(O3)C=C(C=C4)O)OC

DOS

IR

Vibrations