Geometry & MOs

Info

ID:	165621
PubChem CID:	74576671
Reduced:	N3O4C23H39 (1)
Stoich.:	A3B4C23D39 (1)
Weight, g/mol:	415.210721
ΔH_f, kcal/mol:	-228.92
Dipole, Da:	6.43
IP(EA), eV:	-9.36(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4-(4-phenylpiperazin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol

Drug info:

PubChemData

Smile

CCOC(=O)CC1CCN(CC1CCN2CCCC2C(=O)N)C(=O)C3CCCCC3

DOS

IR

Vibrations