Geometry & MOs

Info

ID:	44797
PubChem CID:	10505983
Reduced:	SO2N4C30H34 (1)
Stoich.:	AB2C4D30E34 (1)
Weight, g/mol:	514.355929
ΔH_f, kcal/mol:	-15.41
Dipole, Da:	9.37
IP(EA), eV:	-8.68(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[8-(4-benzhydrylpiperazin-1-yl)octoxy]-2,3,6-trimethylphenol

Drug info:

PubChemData

Smile

C1CS[C@H](C(=O)N[C@@H](C(=O)N1CC2=CC=CC3=CC=CC=C32)CCCCN)CC4=CNC5=CC=CC=C54

DOS

IR

Vibrations