Geometry & MOs

Info

ID:	295145
PubChem CID:	117518599
Reduced:	BrNO2C17H24 (1)
Stoich.:	ABC2D17E24 (1)
Weight, g/mol:	353.09904
ΔH_f, kcal/mol:	-79.44
Dipole, Da:	5.2
IP(EA), eV:	-8.19(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)piperidine

Drug info:

PubChemData

Smile

CC(C)C1=C2C(=CC(=C1C3(CCCN3)C)Br)OCCCO2

DOS

IR

Vibrations