Geometry & MOs

Info

ID:	178991
PubChem CID:	76415255
Reduced:	N2O7C17H22 (1)
Stoich.:	A2B7C17D22 (1)
Weight, g/mol:	676.296008
ΔH_f, kcal/mol:	-305.89
Dipole, Da:	3.71
IP(EA), eV:	-9.07(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine;hydrate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C(CCC(=O)O)C(=O)O)C(=O)C1=CC=C(C=C1)N

DOS

IR

Vibrations