Geometry & MOs

Info

ID:	295110
PubChem CID:	117517596
Reduced:	BrSO5C12H13 (1)
Stoich.:	ABC5D12E13 (1)
Weight, g/mol:	348.08373
ΔH_f, kcal/mol:	-161.71
Dipole, Da:	5.69
IP(EA), eV:	-10.32(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-bromo-4-(1-isocyanatocyclopentyl)phenyl]piperidine

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)S(=O)(=O)C2COC2)Br)C(=O)O

DOS

IR

Vibrations