Geometry & MOs

Info

ID:	295172
PubChem CID:	117520227
Reduced:	BrNO3C17H22 (1)
Stoich.:	ABC3D17E22 (1)
Weight, g/mol:	367.11469
ΔH_f, kcal/mol:	-104.71
Dipole, Da:	6.11
IP(EA), eV:	-8.98(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromo-2-cyclopentyloxy-3-methoxyphenyl)methyl]piperidine

Drug info:

PubChemData

Smile

C1CC(C1)(C2=CC(=C(C=C2)CCN3CCOCC3)Br)C(=O)O

DOS

IR

Vibrations