Geometry & MOs

Info

ID:	295030
PubChem CID:	117512268
Reduced:	F3O4C16H19 (1)
Stoich.:	A3B4C16D19 (1)
Weight, g/mol:	331.0064
ΔH_f, kcal/mol:	-308.59
Dipole, Da:	7.2
IP(EA), eV:	-8.84(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-bromo-4,5-bis(methylsulfanyl)phenyl]cyclopentan-1-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C2(CCCCC2)C(=O)O)C(F)(F)F)OC

DOS

IR

Vibrations